default search action
Google
Google Scholar
Semantic Scholar
Internet Archive Scholar
CiteSeerX
ORCIDBibTeX records: Kenneth M. Merz Jr.
@article{DBLP:journals/jcisd/Merz24,
author = {Kenneth M. Merz Jr.},
title = {In Memoriam: Dr. George W. A. Milne},
journal = {J. Chem. Inf. Model.},
volume = {64},
number = {1},
pages = {1--2},
year = {2024},
url = {https://doi.org/10.1021/acs.jcim.3c02016},
doi = {10.1021/ACS.JCIM.3C02016},
timestamp = {Fri, 26 Jan 2024 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/Merz24.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/DasM24,
author = {Susanta Das and
Kenneth M. Merz Jr.},
title = {Molecular Gas-Phase Conformational Ensembles},
journal = {J. Chem. Inf. Model.},
volume = {64},
number = {3},
pages = {749--760},
year = {2024},
url = {https://doi.org/10.1021/acs.jcim.3c01309},
doi = {10.1021/ACS.JCIM.3C01309},
timestamp = {Thu, 29 Feb 2024 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/DasM24.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/MerzWZ24,
author = {Kenneth M. Merz Jr. and
Guo{-}Wei Wei and
Feng Zhu},
title = {Editorial: Machine Learning in Bio-cheminformatics},
journal = {J. Chem. Inf. Model.},
volume = {64},
number = {7},
pages = {2125--2128},
year = {2024},
url = {https://doi.org/10.1021/acs.jcim.4c00444},
doi = {10.1021/ACS.JCIM.4C00444},
timestamp = {Fri, 17 May 2024 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/MerzWZ24.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/KarmakarSM24,
author = {Tarak Karmakar and
Thereza A. Soares and
Kenneth M. Merz Jr.},
title = {Enhancing Coarse-Grained Models through Machine Learning},
journal = {J. Chem. Inf. Model.},
volume = {64},
number = {8},
pages = {2931--2932},
year = {2024},
url = {https://doi.org/10.1021/acs.jcim.4c00537},
doi = {10.1021/ACS.JCIM.4C00537},
timestamp = {Fri, 17 May 2024 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/KarmakarSM24.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/JinM24,
author = {Hongni Jin and
Kenneth M. Merz Jr.},
title = {Modeling Zinc Complexes Using Neural Networks},
journal = {J. Chem. Inf. Model.},
volume = {64},
number = {8},
pages = {3140--3148},
year = {2024},
url = {https://doi.org/10.1021/acs.jcim.4c00095},
doi = {10.1021/ACS.JCIM.4C00095},
timestamp = {Sat, 08 Jun 2024 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/JinM24.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/MerzCCISWZ24,
author = {Kenneth M. Merz Jr. and
Yee{-}Siew Choong and
Zoe Cournia and
Olexandr Isayev and
Thereza A. Soares and
Guo{-}Wei Wei and
Feng Zhu},
title = {Editorial: Machine Learning in Materials Science},
journal = {J. Chem. Inf. Model.},
volume = {64},
number = {10},
pages = {3959--3960},
year = {2024},
url = {https://doi.org/10.1021/acs.jcim.4c00727},
doi = {10.1021/ACS.JCIM.4C00727},
timestamp = {Tue, 18 Jun 2024 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/MerzCCISWZ24.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/MerzWZ24a,
author = {Kenneth M. Merz Jr. and
Guo{-}Wei Wei and
Feng Zhu},
title = {Editorial: Cutting-Edge Methodologies in Omics Data Analysis},
journal = {J. Chem. Inf. Model.},
volume = {64},
number = {13},
pages = {4939--4940},
year = {2024},
url = {https://doi.org/10.1021/acs.jcim.4c01021},
doi = {10.1021/ACS.JCIM.4C01021},
timestamp = {Thu, 22 Aug 2024 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/MerzWZ24a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/GrynovaBMFWNSM24,
author = {Ganna Gryn'ova and
Tristan Bereau and
Carolin M{\"{u}}ller and
Pascal Friederich and
Rebecca C. Wade and
Ariane Nunes{-}Alves and
Thereza A. Soares and
Kenneth M. Merz Jr.},
title = {{EDITORIAL:} Chemical Compound Space Exploration by Multiscale High-Throughput
Screening and Machine Learning},
journal = {J. Chem. Inf. Model.},
volume = {64},
number = {15},
pages = {5737--5738},
year = {2024},
url = {https://doi.org/10.1021/acs.jcim.4c01300},
doi = {10.1021/ACS.JCIM.4C01300},
timestamp = {Thu, 12 Sep 2024 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/GrynovaBMFWNSM24.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/MerzWZ23,
author = {Kenneth M. Merz Jr. and
Guo{-}Wei Wei and
Feng Zhu},
title = {Editorial: Machine Learning in Bio-cheminformatics},
journal = {J. Chem. Inf. Model.},
volume = {63},
number = {1},
pages = {1},
year = {2023},
url = {https://doi.org/10.1021/acs.jcim.2c01496},
doi = {10.1021/ACS.JCIM.2C01496},
timestamp = {Tue, 31 Jan 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/MerzWZ23.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/ManathungaAGM23,
author = {Madushanka Manathunga and
Hasan Metin Aktulga and
Andreas W. G{\"{o}}tz and
Kenneth M. Merz Jr.},
title = {Quantum Mechanics/Molecular Mechanics Simulations on {NVIDIA} and
{AMD} Graphics Processing Units},
journal = {J. Chem. Inf. Model.},
volume = {63},
number = {3},
pages = {711--717},
year = {2023},
url = {https://doi.org/10.1021/acs.jcim.2c01505},
doi = {10.1021/ACS.JCIM.2C01505},
timestamp = {Sun, 04 Aug 2024 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/ManathungaAGM23.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SoaresCNAWM23,
author = {Thereza A. Soares and
Zoe Cournia and
Kevin J. Naidoo and
Rommie E. Amaro and
Habibah A. Wahab and
Kenneth M. Merz Jr.},
title = {Guidelines for Reporting Molecular Dynamics Simulations in {JCIM}
Publications},
journal = {J. Chem. Inf. Model.},
volume = {63},
number = {11},
pages = {3227--3229},
year = {2023},
url = {https://doi.org/10.1021/acs.jcim.3c00599},
doi = {10.1021/ACS.JCIM.3C00599},
timestamp = {Fri, 07 Jul 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/SoaresCNAWM23.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/DasDTM23,
author = {Susanta Das and
Laleh Dinpazhoh and
Kiyoto Aramis Tanemura and
Kenneth M. Merz Jr.},
title = {Rapid and Automated \emph{Ab Initio} Metabolite Collisional Cross
Section Prediction from {SMILES} Input},
journal = {J. Chem. Inf. Model.},
volume = {63},
number = {16},
pages = {4995--5000},
year = {2023},
url = {https://doi.org/10.1021/acs.jcim.3c00890},
doi = {10.1021/ACS.JCIM.3C00890},
timestamp = {Sat, 28 Oct 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/DasDTM23.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/MerzWZ23a,
author = {Kenneth M. Merz Jr. and
Guo{-}Wei Wei and
Feng Zhu},
title = {Editorial: Harnessing the Power of Large Language Model-Based Chatbots
for Scientific Discovery},
journal = {J. Chem. Inf. Model.},
volume = {63},
number = {17},
pages = {5395},
year = {2023},
url = {https://doi.org/10.1021/acs.jcim.3c01244},
doi = {10.1021/ACS.JCIM.3C01244},
timestamp = {Sat, 14 Oct 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/MerzWZ23a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/NunesAlvesM23,
author = {Ariane Nunes{-}Alves and
Kenneth M. Merz Jr.},
title = {AlphaFold2 in Molecular Discovery},
journal = {J. Chem. Inf. Model.},
volume = {63},
number = {19},
pages = {5947--5949},
year = {2023},
url = {https://doi.org/10.1021/acs.jcim.3c01459},
doi = {10.1021/ACS.JCIM.3C01459},
timestamp = {Tue, 28 Nov 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/NunesAlvesM23.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/CaseABCCCFGGGIKKKKLLLLLMMNOOPPQRR23,
author = {David A. Case and
Hasan Metin Aktulga and
Kellon Belfon and
David S. Cerutti and
G. Andr{\'{e}}s Cisneros and
Vin{\'{\i}}cius Wilian D. Cruzeiro and
Negin Forouzesh and
Timothy J. Giese and
Andreas W. G{\"{o}}tz and
Holger Gohlke and
Saeed Izadi and
Koushik Kasavajhala and
Mehmet Cagri Kaymak and
Edward King and
Tom Kurtzman and
Tai{-}Sung Lee and
Pengfei Li and
Jian Liu and
Tyler Luchko and
Ray Luo and
Madushanka Manathunga and
Mat{\'{\i}}as R. Machado and
Hai Minh Nguyen and
Kurt A. O'Hearn and
Alexey V. Onufriev and
Feng Pan and
Sergio Pantano and
Ruxi Qi and
Ali Rahnamoun and
Ali Risheh and
Stephan Schott{-}Verdugo and
Akhil Shajan and
Jason M. Swails and
Junmei Wang and
Haixin Wei and
Xiongwu Wu and
Yongxian Wu and
Shi Zhang and
Shiji Zhao and
Qiang Zhu and
Thomas E. Cheatham and
Daniel R. Roe and
Adrian E. Roitberg and
Carlos Simmerling and
Darrin M. York and
Maria C. Nagan and
Kenneth M. Merz Jr.},
title = {AmberTools},
journal = {J. Chem. Inf. Model.},
volume = {63},
number = {20},
pages = {6183--6191},
year = {2023},
url = {https://doi.org/10.1021/acs.jcim.3c01153},
doi = {10.1021/ACS.JCIM.3C01153},
timestamp = {Mon, 05 Feb 2024 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/CaseABCCCFGGGIKKKKLLLLLMMNOOPPQRR23.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/NaidooMW23,
author = {Kevin J. Naidoo and
Kenneth M. Merz Jr. and
Guo{-}Wei Wei},
title = {Modeling Reactions from Chemical Theories to Machine Learning},
journal = {J. Chem. Inf. Model.},
volume = {63},
number = {23},
pages = {7273},
year = {2023},
url = {https://doi.org/10.1021/acs.jcim.3c01807},
doi = {10.1021/ACS.JCIM.3C01807},
timestamp = {Fri, 26 Jan 2024 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/NaidooMW23.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@inproceedings{DBLP:conf/supercomputer/KaymakSCOMA23,
author = {Mehmet Cagri Kaymak and
Samuel S. Schoenholz and
Ekin D. Cubuk and
Kurt A. O'Hearn and
Kenneth M. Merz Jr. and
Hasan Metin Aktulga},
editor = {Abhinav Bhatele and
Jeff R. Hammond and
Marc Baboulin and
Carola Kruse},
title = {End-to-End Differentiable Reactive Molecular Dynamics Simulations
Using {JAX}},
booktitle = {High Performance Computing - 38th International Conference, {ISC}
High Performance 2023, Hamburg, Germany, May 21-25, 2023, Proceedings},
series = {Lecture Notes in Computer Science},
volume = {13948},
pages = {202--219},
publisher = {Springer},
year = {2023},
url = {https://doi.org/10.1007/978-3-031-32041-5\_11},
doi = {10.1007/978-3-031-32041-5\_11},
timestamp = {Sat, 13 May 2023 16:51:19 +0200},
biburl = {https://dblp.org/rec/conf/supercomputer/KaymakSCOMA23.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/WeiZM22,
author = {Guo{-}Wei Wei and
Feng Zhu and
Kenneth M. Merz Jr.},
title = {Editorial on Machine Learning},
journal = {J. Chem. Inf. Model.},
volume = {62},
number = {17},
pages = {3941},
year = {2022},
url = {https://doi.org/10.1021/acs.jcim.2c01031},
doi = {10.1021/ACS.JCIM.2C01031},
timestamp = {Tue, 18 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/WeiZM22.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SoaresNMRWM22,
author = {Thereza A. Soares and
Ariane Nunes{-}Alves and
Angelica Mazzolari and
Fiorella Ruggiu and
Guo{-}Wei Wei and
Kenneth M. Merz Jr.},
title = {The (Re)-Evolution of Quantitative Structure-Activity Relationship
{(QSAR)} Studies Propelled by the Surge of Machine Learning Methods},
journal = {J. Chem. Inf. Model.},
volume = {62},
number = {22},
pages = {5317--5320},
year = {2022},
url = {https://doi.org/10.1021/acs.jcim.2c01422},
doi = {10.1021/ACS.JCIM.2C01422},
timestamp = {Sun, 12 Feb 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/SoaresNMRWM22.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SharmaSM22,
author = {Gaurav Sharma and
Lin Frank Song and
Kenneth M. Merz Jr.},
title = {Effect of an Inhibitor on the ACE2-Receptor-Binding Domain of SARS-CoV-2},
journal = {J. Chem. Inf. Model.},
volume = {62},
number = {24},
pages = {6574--6585},
year = {2022},
url = {https://doi.org/10.1021/acs.jcim.1c01283},
doi = {10.1021/ACS.JCIM.1C01283},
timestamp = {Tue, 31 Jan 2023 00:00:00 +0100},
biburl = {https://dblp.org/rec/journals/jcisd/SharmaSM22.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SenguptaLSLM21,
author = {Arkajyoti Sengupta and
Zhen Li and
Lin Frank Song and
Pengfei Li and
Kenneth M. Merz Jr.},
title = {Parameterization of Monovalent Ions for the OPC3, OPC, TIP3P-FB, and
{TIP4P-FB} Water Models},
journal = {J. Chem. Inf. Model.},
volume = {61},
number = {2},
pages = {869--880},
year = {2021},
url = {https://doi.org/10.1021/acs.jcim.0c01390},
doi = {10.1021/ACS.JCIM.0C01390},
timestamp = {Sun, 25 Jul 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/SenguptaLSLM21.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/TanemuraDM21,
author = {Kiyoto Aramis Tanemura and
Susanta Das and
Kenneth M. Merz Jr.},
title = {AutoGraph: Autonomous Graph-Based Clustering of Small-Molecule Conformations},
journal = {J. Chem. Inf. Model.},
volume = {61},
number = {4},
pages = {1647--1656},
year = {2021},
url = {https://doi.org/10.1021/acs.jcim.0c01492},
doi = {10.1021/ACS.JCIM.0C01492},
timestamp = {Sun, 16 May 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/TanemuraDM21.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/CruzeiroMMG21,
author = {Vin{\'{\i}}cius Wilian D. Cruzeiro and
Madushanka Manathunga and
Kenneth M. Merz Jr. and
Andreas W. G{\"{o}}tz},
title = {Open-Source Multi-GPU-Accelerated {QM/MM} Simulations with {AMBER}
and {QUICK}},
journal = {J. Chem. Inf. Model.},
volume = {61},
number = {5},
pages = {2109--2115},
year = {2021},
url = {https://doi.org/10.1021/acs.jcim.1c00169},
doi = {10.1021/ACS.JCIM.1C00169},
timestamp = {Mon, 28 Aug 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/CruzeiroMMG21.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/Sengupta0S0M21,
author = {Arkajyoti Sengupta and
Zhen Li and
Lin Frank Song and
Pengfei Li and
Kenneth M. Merz Jr.},
title = {Correction to "Parameterization of Monovalent Ions for the OPC3,
OPC, TIP3P-FB, and {TIP4P-FB} Water Models"},
journal = {J. Chem. Inf. Model.},
volume = {61},
number = {7},
pages = {3734--3735},
year = {2021},
url = {https://doi.org/10.1021/acs.jcim.1c00576},
doi = {10.1021/ACS.JCIM.1C00576},
timestamp = {Thu, 16 Sep 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/Sengupta0S0M21.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/MerzFW20,
author = {Kenneth M. Merz Jr. and
Gianni De Fabritiis and
Guo{-}Wei Wei},
title = {{JCIM} Special Issue on Generative Models for Molecular Design},
journal = {J. Chem. Inf. Model.},
volume = {60},
number = {3},
pages = {1072},
year = {2020},
url = {https://doi.org/10.1021/acs.jcim.0c00180},
doi = {10.1021/ACS.JCIM.0C00180},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/MerzFW20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/BurrowsWKMSLLKJ20,
author = {Cynthia J. Burrows and
Shu Wang and
Hyun Jae Kim and
Gerald J. Meyer and
Kirk Schanze and
T. Randall Lee and
Jodie L. Lutkenhaus and
David Kaplan and
Christopher Jones and
Carolyn R. Bertozzi and
Laura Kiessling and
Mary Beth Mulcahy and
Craig Lindsley and
M. G. Finn and
Joel D. Blum and
Prashant Kamat and
Courtney Aldrich and
Stuart Rowan and
Bin Liu and
Dennis Liotta and
Paul S. Weiss and
Deqing Zhang and
Krishna N. Ganesh and
Patrick M. Sexton and
Harry A. Atwater and
J. Justin Gooding and
David T. Allen and
Christopher A. Voigt and
Jonathan V. Sweedler and
Alanna Schepartz and
Vincent Rotello and
S{\'{e}}bastien Lecommandoux and
Shana J. Sturla and
Sharon Hammes{-}Schiffer and
Jillian Buriak and
Jonathan W. Steed and
Hongwei Wu and
Julie Zimmerman and
Bryan Brooks and
Phillip Savage and
William Tolman and
Thomas F. Hofmann and
Joan F. Brennecke and
Thomas A. Holme and
Kenneth M. Merz Jr. and
Gustavo Scuseria and
William Jorgensen and
Gunda I. Georg and
Shaomeng Wang and
Philip Proteau and
John R. Yates and
Peter Stang and
Gilbert C. Walker and
Marc Hillmyer and
Lynne S. Taylor and
Teri W. Odom and
Erick Carreira and
Kai Rossen and
Paul Chirik and
Scott J. Miller and
Anne McCoy and
Joan{-}Emma Shea and
Martin Zanni and
Catherine Murphy and
Gregory Scholes and
Joseph A. Loo},
title = {Update to Our Reader, Reviewer, and Author Communities - April 2020},
journal = {J. Chem. Inf. Model.},
volume = {60},
number = {6},
pages = {2651--2652},
year = {2020},
url = {https://doi.org/10.1021/acs.jcim.0c00399},
doi = {10.1021/ACS.JCIM.0C00399},
timestamp = {Sun, 04 Aug 2024 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/BurrowsWKMSLLKJ20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/BurrowsHWKMSLLK20,
author = {Cynthia J. Burrows and
Jiaxing Huang and
Shu Wang and
Hyun Jae Kim and
Gerald J. Meyer and
Kirk Schanze and
T. Randall Lee and
Jodie L. Lutkenhaus and
David Kaplan and
Christopher Jones and
Carolyn R. Bertozzi and
Laura Kiessling and
Mary Beth Mulcahy and
Craig Lindsley and
M. G. Finn and
Joel D. Blum and
Prashant Kamat and
Wonyong Choi and
Shane Snyder and
Courtney Aldrich and
Stuart Rowan and
Bin Liu and
Dennis Liotta and
Paul S. Weiss and
Deqing Zhang and
Krishna N. Ganesh and
Harry A. Atwater and
J. Justin Gooding and
David T. Allen and
Christopher A. Voigt and
Jonathan V. Sweedler and
Alanna Schepartz and
Vincent Rotello and
S{\'{e}}bastien Lecommandoux and
Shana J. Sturla and
Sharon Hammes{-}Schiffer and
Jillian Buriak and
Jonathan W. Steed and
Hongwei Wu and
Julie Zimmerman and
Bryan Brooks and
Phillip Savage and
William Tolman and
Thomas F. Hofmann and
Joan F. Brennecke and
Thomas A. Holme and
Kenneth M. Merz Jr. and
Gustavo Scuseria and
William Jorgensen and
Gunda I. Georg and
Shaomeng Wang and
Philip Proteau and
John R. Yates and
Peter Stang and
Gilbert C. Walker and
Marc Hillmyer and
Lynne S. Taylor and
Teri W. Odom and
Erick Carreira and
Kai Rossen and
Paul Chirik and
Scott J. Miller and
Joan{-}Emma Shea and
Anne McCoy and
Martin Zanni and
Gregory Hartland and
Gregory Scholes and
Joseph A. Loo and
James Milne and
Sarah B. Tegen and
Daniel T. Kulp and
Julia Laskin},
title = {Confronting Racism in Chemistry Journals},
journal = {J. Chem. Inf. Model.},
volume = {60},
number = {7},
pages = {3325--3327},
year = {2020},
url = {https://doi.org/10.1021/acs.jcim.0c00683},
doi = {10.1021/ACS.JCIM.0C00683},
timestamp = {Sat, 30 Sep 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/BurrowsHWKMSLLK20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/MazzolariNWACM20,
author = {Angelica Mazzolari and
Ariane Nunes{-}Alves and
Habibah A. Wahab and
Rommie E. Amaro and
Zoe Cournia and
Kenneth M. Merz Jr.},
title = {Impact of the Journal of Chemical Information and Modeling Special
Issue on Women in Computational Chemistry},
journal = {J. Chem. Inf. Model.},
volume = {60},
number = {7},
pages = {3328--3330},
year = {2020},
url = {https://doi.org/10.1021/acs.jcim.0c00636},
doi = {10.1021/ACS.JCIM.0C00636},
timestamp = {Wed, 01 Sep 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/MazzolariNWACM20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SahrmannDMMG20,
author = {Patrick G. Sahrmann and
Patrick H. Donnan and
Kenneth M. Merz Jr. and
Steven O. Mansoorabadi and
Douglas C. Goodwin},
title = {MRP.py: {A} Parametrizer of Post-Translationally Modified Residues},
journal = {J. Chem. Inf. Model.},
volume = {60},
number = {10},
pages = {4424--4428},
year = {2020},
url = {https://doi.org/10.1021/acs.jcim.0c00472},
doi = {10.1021/ACS.JCIM.0C00472},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/SahrmannDMMG20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/TsaiTLMY20,
author = {Hsu{-}Chun Tsai and
Yujun Tao and
Tai{-}Sung Lee and
Kenneth M. Merz Jr. and
Darrin M. York},
title = {Validation of Free Energy Methods in {AMBER}},
journal = {J. Chem. Inf. Model.},
volume = {60},
number = {11},
pages = {5296--5300},
year = {2020},
url = {https://doi.org/10.1021/acs.jcim.0c00285},
doi = {10.1021/ACS.JCIM.0C00285},
timestamp = {Wed, 01 Sep 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/TsaiTLMY20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SongM20,
author = {Lin Frank Song and
Kenneth M. Merz Jr.},
title = {Evolution of Alchemical Free Energy Methods in Drug Discovery},
journal = {J. Chem. Inf. Model.},
volume = {60},
number = {11},
pages = {5308--5318},
year = {2020},
url = {https://doi.org/10.1021/acs.jcim.0c00547},
doi = {10.1021/ACS.JCIM.0C00547},
timestamp = {Wed, 01 Sep 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/SongM20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/MerzFW20a,
author = {Kenneth M. Merz Jr. and
Gianni De Fabritiis and
Guo{-}Wei Wei},
title = {Generative Models for Molecular Design},
journal = {J. Chem. Inf. Model.},
volume = {60},
number = {12},
pages = {5635--5636},
year = {2020},
url = {https://doi.org/10.1021/acs.jcim.0c01388},
doi = {10.1021/ACS.JCIM.0C01388},
timestamp = {Wed, 01 Sep 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/MerzFW20a.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/Nunes-AlvesMM20,
author = {Ariane Nunes{-}Alves and
Angelica Mazzolari and
Kenneth M. Merz Jr.},
title = {What Makes a Paper Be Highly Cited? 60 Years of the Journal of Chemical
Information and Modeling},
journal = {J. Chem. Inf. Model.},
volume = {60},
number = {12},
pages = {5866--5867},
year = {2020},
url = {https://doi.org/10.1021/acs.jcim.0c01248},
doi = {10.1021/ACS.JCIM.0C01248},
timestamp = {Wed, 01 Sep 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/Nunes-AlvesMM20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/MerzACRSTWW20,
author = {Kenneth M. Merz Jr. and
Rommie E. Amaro and
Zoe Cournia and
Matthias Rarey and
Thereza A. Soares and
Alexander Tropsha and
Habibah A. Wahab and
Renxiao Wang},
title = {Editorial: Method and Data Sharing and Reproducibility of Scientific
Results},
journal = {J. Chem. Inf. Model.},
volume = {60},
number = {12},
pages = {5868--5869},
year = {2020},
url = {https://doi.org/10.1021/acs.jcim.0c01389},
doi = {10.1021/ACS.JCIM.0C01389},
timestamp = {Wed, 01 Sep 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/MerzACRSTWW20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/ZhaoKCMC20,
author = {Wenxi Zhao and
Dmitriy Korobskiy and
Shreya Chandrasekharan and
Kenneth M. Merz Jr. and
George Chacko},
title = {Converging Interests: Chemoinformatics, History, and Bibliometrics},
journal = {J. Chem. Inf. Model.},
volume = {60},
number = {12},
pages = {5870--5872},
year = {2020},
url = {https://doi.org/10.1021/acs.jcim.0c01098},
doi = {10.1021/ACS.JCIM.0C01098},
timestamp = {Wed, 01 Sep 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/ZhaoKCMC20.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/PeiZM19,
author = {Jun Pei and
Zheng Zheng and
Kenneth M. Merz Jr.},
title = {Random Forest Refinement of the {KECSA2} Knowledge-Based Scoring Function
for Protein Decoy Detection},
journal = {J. Chem. Inf. Model.},
volume = {59},
number = {5},
pages = {1919--1929},
year = {2019},
url = {https://doi.org/10.1021/acs.jcim.8b00734},
doi = {10.1021/ACS.JCIM.8B00734},
timestamp = {Tue, 01 Jun 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/PeiZM19.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/SongLZYM19,
author = {Lin Frank Song and
Tai{-}Sung Lee and
Chun Zhu and
Darrin M. York and
Kenneth M. Merz Jr.},
title = {Using {AMBER18} for Relative Free Energy Calculations},
journal = {J. Chem. Inf. Model.},
volume = {59},
number = {7},
pages = {3128--3135},
year = {2019},
url = {https://doi.org/10.1021/acs.jcim.9b00105},
doi = {10.1021/ACS.JCIM.9B00105},
timestamp = {Tue, 01 Jun 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/SongLZYM19.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/PeiZKSWMM19,
author = {Jun Pei and
Zheng Zheng and
Hyunji Kim and
Lin Frank Song and
Sarah Walworth and
Margaux R. Merz and
Kenneth M. Merz Jr.},
title = {Random Forest Refinement of Pairwise Potentials for Protein-Ligand
Decoy Detection},
journal = {J. Chem. Inf. Model.},
volume = {59},
number = {7},
pages = {3305--3315},
year = {2019},
url = {https://doi.org/10.1021/acs.jcim.9b00356},
doi = {10.1021/ACS.JCIM.9B00356},
timestamp = {Tue, 01 Jun 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/PeiZKSWMM19.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/SongBZM18,
author = {Lin Frank Song and
Nupur Bansal and
Zheng Zheng and
Kenneth M. Merz Jr.},
title = {Detailed potential of mean force studies on host-guest systems from
the {SAMPL6} challenge},
journal = {J. Comput. Aided Mol. Des.},
volume = {32},
number = {10},
pages = {1013--1026},
year = {2018},
url = {https://doi.org/10.1007/s10822-018-0153-7},
doi = {10.1007/S10822-018-0153-7},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/SongBZM18.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/Merz18,
author = {Kenneth M. Merz Jr.},
title = {Investing in the Future},
journal = {J. Chem. Inf. Model.},
volume = {58},
number = {6},
pages = {1153},
year = {2018},
url = {https://doi.org/10.1021/acs.jcim.8b00360},
doi = {10.1021/ACS.JCIM.8B00360},
timestamp = {Tue, 01 Jun 2021 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/Merz18.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/BansalZCM17,
author = {Nupur Bansal and
Zheng Zheng and
David S. Cerutti and
Kenneth M. Merz Jr.},
title = {On the fly estimation of host-guest binding free energies using the
movable type method: participation in the {SAMPL5} blind challenge},
journal = {J. Comput. Aided Mol. Des.},
volume = {31},
number = {1},
pages = {47--60},
year = {2017},
url = {https://doi.org/10.1007/s10822-016-9980-6},
doi = {10.1007/S10822-016-9980-6},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/BansalZCM17.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/AldrichBGKLLMSW17,
author = {Courtney Aldrich and
Carolyn R. Bertozzi and
Gunda I. Georg and
Laura Kiessling and
Craig Lindsley and
Dennis Liotta and
Kenneth M. Merz Jr. and
Alanna Schepartz and
Shaomeng Wang},
title = {The Ecstasy and Agony of Assay Interference Compounds},
journal = {J. Chem. Inf. Model.},
volume = {57},
number = {3},
pages = {387--390},
year = {2017},
url = {https://doi.org/10.1021/acs.jcim.7b00105},
doi = {10.1021/ACS.JCIM.7B00105},
timestamp = {Tue, 23 Aug 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/AldrichBGKLLMSW17.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/LiM16,
author = {Pengfei Li and
Kenneth M. Merz Jr.},
title = {MCPB.py: {A} Python Based Metal Center Parameter Builder},
journal = {J. Chem. Inf. Model.},
volume = {56},
number = {4},
pages = {599--604},
year = {2016},
url = {https://doi.org/10.1021/acs.jcim.5b00674},
doi = {10.1021/ACS.JCIM.5B00674},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/LiM16.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/MacomberMHM15,
author = {Lee Macomber and
Mona S. Minkara and
Robert P. Hausinger and
Kenneth M. Merz Jr.},
title = {Reduction of Urease Activity by Interaction with the Flap Covering
the Active Site},
journal = {J. Chem. Inf. Model.},
volume = {55},
number = {2},
pages = {354--361},
year = {2015},
url = {https://doi.org/10.1021/ci500562t},
doi = {10.1021/CI500562T},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/MacomberMHM15.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/MerzRTW15,
author = {Kenneth M. Merz Jr. and
Matthias Rarey and
Alexander Tropsha and
Habibah A. Wahab},
title = {Letter from the Editors},
journal = {J. Chem. Inf. Model.},
volume = {55},
number = {4},
pages = {719--720},
year = {2015},
url = {https://doi.org/10.1021/acs.jcim.5b00180},
doi = {10.1021/ACS.JCIM.5B00180},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/MerzRTW15.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/Merz15,
author = {Kenneth M. Merz Jr.},
title = {Introducing the Review Manuscript Type},
journal = {J. Chem. Inf. Model.},
volume = {55},
number = {7},
pages = {1291},
year = {2015},
url = {https://doi.org/10.1021/acs.jcim.5b00406},
doi = {10.1021/ACS.JCIM.5B00406},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/Merz15.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/Merz14,
author = {Kenneth M. Merz Jr.},
title = {New Manuscript Type: Application Note},
journal = {J. Chem. Inf. Model.},
volume = {54},
number = {11},
pages = {3045},
year = {2014},
url = {https://doi.org/10.1021/ci500685s},
doi = {10.1021/CI500685S},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/Merz14.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/ZhengM13,
author = {Zheng Zheng and
Kenneth M. Merz Jr.},
title = {Development of the Knowledge-Based and Empirical Combined Scoring
Algorithm {(KECSA)} To Score Protein-Ligand Interactions},
journal = {J. Chem. Inf. Model.},
volume = {53},
number = {5},
pages = {1073--1083},
year = {2013},
url = {https://doi.org/10.1021/ci300619x},
doi = {10.1021/CI300619X},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/ZhengM13.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/BensonFUDZM12,
author = {Mark L. Benson and
John C. Faver and
Melek N. Ucisik and
Danial S. Dashti and
Zheng Zheng and
Kenneth M. Merz Jr.},
title = {Prediction of trypsin/molecular fragment binding affinities by free
energy decomposition and empirical scores},
journal = {J. Comput. Aided Mol. Des.},
volume = {26},
number = {5},
pages = {647--659},
year = {2012},
url = {https://doi.org/10.1007/s10822-012-9567-9},
doi = {10.1007/S10822-012-9567-9},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/BensonFUDZM12.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/LiFM12,
author = {Xue Li and
Zheng Fu and
Kenneth M. Merz Jr.},
title = {{QM/MM} refinement and analysis of protein bound retinoic acid},
journal = {J. Comput. Chem.},
volume = {33},
number = {3},
pages = {301--310},
year = {2012},
url = {https://doi.org/10.1002/jcc.21978},
doi = {10.1002/JCC.21978},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/LiFM12.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/RobertsSRMDTT12,
author = {Benjamin P. Roberts and
Gustavo de M. Seabra and
Adrian E. Roitberg and
Kenneth M. Merz Jr. and
Erik Deumens and
Juan Torras and
Samuel B. Trickey},
title = {Comment on "a minimal implementation of the {AMBER-GAUSSIAN}
interface for \emph{Ab Initio} {QM/MM-MD} simulation"},
journal = {J. Comput. Chem.},
volume = {33},
number = {19},
pages = {1643--1644},
year = {2012},
url = {https://doi.org/10.1002/jcc.23003},
doi = {10.1002/JCC.23003},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/RobertsSRMDTT12.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/FuLM11,
author = {Zheng Fu and
Xue Li and
Kenneth M. Merz Jr.},
title = {Accurate assessment of the strain energy in a protein-bound drug using
{QM/MM} X-ray refinement and converged quantum chemistry},
journal = {J. Comput. Chem.},
volume = {32},
number = {12},
pages = {2587--2597},
year = {2011},
url = {https://doi.org/10.1002/jcc.21838},
doi = {10.1002/JCC.21838},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/FuLM11.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcisd/ZhengM11,
author = {Zheng Zheng and
Kenneth M. Merz Jr.},
title = {Ligand Identification Scoring Algorithm {(LISA)}},
journal = {J. Chem. Inf. Model.},
volume = {51},
number = {6},
pages = {1296--1306},
year = {2011},
url = {https://doi.org/10.1021/ci2000665},
doi = {10.1021/CI2000665},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcisd/ZhengM11.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/EstiuSM06,
author = {Guillermina Estiu and
Dimas Su{\'{a}}rez and
Kenneth M. Merz Jr.},
title = {Quantum mechanical and molecular dynamics simulations of ureases and
Zn beta-lactamases},
journal = {J. Comput. Chem.},
volume = {27},
number = {12},
pages = {1240--1262},
year = {2006},
url = {https://doi.org/10.1002/jcc.20411},
doi = {10.1002/JCC.20411},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/EstiuSM06.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/DixonMLI05,
author = {Steven L. Dixon and
Kenneth M. Merz Jr. and
Giorgio Lauri and
James C. Ianni},
title = {{QMQSAR:} Utilization of a semiempirical probe potential in a field-based
{QSAR} method},
journal = {J. Comput. Chem.},
volume = {26},
number = {1},
pages = {23--34},
year = {2005},
url = {https://doi.org/10.1002/jcc.20142},
doi = {10.1002/JCC.20142},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/DixonMLI05.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/CaseCDGLMOSWW05,
author = {David A. Case and
Thomas E. Cheatham III and
Tom Darden and
Holger Gohlke and
Ray Luo and
Kenneth M. Merz Jr. and
Alexey Onufriev and
Carlos Simmerling and
Bing Wang and
Robert J. Woods},
title = {The Amber biomolecular simulation programs},
journal = {J. Comput. Chem.},
volume = {26},
number = {16},
pages = {1668--1688},
year = {2005},
url = {https://doi.org/10.1002/jcc.20290},
doi = {10.1002/JCC.20290},
timestamp = {Mon, 24 Apr 2023 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/CaseCDGLMOSWW05.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/BrothersSDM04,
author = {Edward N. Brothers and
Dimas Su{\'{a}}rez and
David W. Deerfield II and
Kenneth M. Merz Jr.},
title = {PM3-compatible zinc parameters optimized for metalloenzyme active
sites},
journal = {J. Comput. Chem.},
volume = {25},
number = {14},
pages = {1677--1692},
year = {2004},
url = {https://doi.org/10.1002/jcc.20086},
doi = {10.1002/JCC.20086},
timestamp = {Sun, 02 Oct 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/BrothersSDM04.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcamd/DillerM02,
author = {David J. Diller and
Kenneth M. Merz Jr.},
title = {Can we separate active from inactive conformations?},
journal = {J. Comput. Aided Mol. Des.},
volume = {16},
number = {2},
pages = {105--112},
year = {2002},
url = {https://doi.org/10.1023/A:1016320106741},
doi = {10.1023/A:1016320106741},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcamd/DillerM02.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/ChengDDELM02,
author = {Ailan Cheng and
David J. Diller and
Steven L. Dixon and
William J. Egan and
George Lauri and
Kenneth M. Merz Jr.},
title = {Computation of the physio-chemical properties and data mining of large
molecular collections},
journal = {J. Comput. Chem.},
volume = {23},
number = {1},
pages = {172--183},
year = {2002},
url = {https://doi.org/10.1002/jcc.1164},
doi = {10.1002/JCC.1164},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/ChengDDELM02.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/SuarezDM02,
author = {Dimas Su{\'{a}}rez and
Natalia D{\'{\i}}az and
Kenneth M. Merz Jr.},
title = {Molecular dynamics simulations of the dinuclear zinc--lactamase from
Bacteroides fragilis complexed with imipenem},
journal = {J. Comput. Chem.},
volume = {23},
number = {16},
pages = {1587--1600},
year = {2002},
url = {https://doi.org/10.1002/jcc.10157},
doi = {10.1002/JCC.10157},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/SuarezDM02.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/VaartGDJ00,
author = {Arjan van der Vaart and
Valentin Gogonea and
Steven L. Dixon and
Kenneth M. Merz Jr.},
title = {Linear scaling molecular orbital calculations of biological systems
using the semiempirical divide and conquer method},
journal = {J. Comput. Chem.},
volume = {21},
number = {16},
pages = {1494--1504},
year = {2000},
url = {https://doi.org/10.1002/1096-987X(200012)21:16\&\#60;1494::AID-JCC6\&\#62;3.0.CO;2-4},
doi = {10.1002/1096-987X(200012)21:16\&\#60;1494::AID-JCC6\&\#62;3.0.CO;2-4},
timestamp = {Wed, 01 Apr 2020 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/VaartGDJ00.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/StantonHM95,
author = {Robert V. Stanton and
David S. Hartsough and
Kenneth M. Merz Jr.},
title = {An Examination of a Density Functional/Molecular Mechanical Coupled
Potential},
journal = {J. Comput. Chem.},
volume = {16},
number = {1},
pages = {113--128},
year = {1995},
url = {https://doi.org/10.1002/jcc.540160110},
doi = {10.1002/JCC.540160110},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/StantonHM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/VincentM95,
author = {James J. Vincent and
Kenneth M. Merz Jr.},
title = {A Highly Portable Parallel Implementation of {AMBER4} Using the Message
Passing Interface Standart},
journal = {J. Comput. Chem.},
volume = {16},
number = {11},
pages = {1420--1427},
year = {1995},
url = {https://doi.org/10.1002/jcc.540161110},
doi = {10.1002/JCC.540161110},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/VincentM95.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/GlennonZGSM94,
author = {Timothy M. Glennon and
Yajun Zheng and
Scott M. Le Grand and
Brad A. Shutzberg and
Kenneth M. Merz Jr.},
title = {A Force Field for Monosaccharides and (1-{\textgreater}4) Linked Polysaccharides},
journal = {J. Comput. Chem.},
volume = {15},
number = {9},
pages = {1019--1040},
year = {1994},
url = {https://doi.org/10.1002/jcc.540150910},
doi = {10.1002/JCC.540150910},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/GlennonZGSM94.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jcc/GrandM93,
author = {Scott M. Le Grand and
Kenneth M. Merz Jr.},
title = {Rapid approximation to molecular surface area via the use of Boolean
logic and look-up tables},
journal = {J. Comput. Chem.},
volume = {14},
number = {3},
pages = {349--352},
year = {1993},
url = {https://doi.org/10.1002/jcc.540140309},
doi = {10.1002/JCC.540140309},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jcc/GrandM93.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
@article{DBLP:journals/jgo/GrandM93,
author = {Scott M. Le Grand and
Kenneth M. Merz Jr.},
title = {The application of the genetic algorithm to the minimization of potential
energy functions},
journal = {J. Glob. Optim.},
volume = {3},
number = {1},
pages = {49--66},
year = {1993},
url = {https://doi.org/10.1007/BF01100239},
doi = {10.1007/BF01100239},
timestamp = {Sat, 09 Apr 2022 01:00:00 +0200},
biburl = {https://dblp.org/rec/journals/jgo/GrandM93.bib},
bibsource = {dblp computer science bibliography, https://dblp.org}
}
manage site settings
To protect your privacy, all features that rely on external API calls from your browser are turned off by default. You need to opt-in for them to become active. All settings here will be stored as cookies with your web browser. For more information see our F.A.Q.
last updated on 2024-09-14 02:02 CEST by the dblp team
all metadata released as open data under CC0 1.0 license
see also: Terms of Use | Privacy Policy | Imprint
dblp was originally created in 1993 at:
since 2018, dblp has been operated and maintained by:
the dblp computer science bibliography is funded and supported by:
