default search action
Google
Google Scholar
Semantic Scholar
Internet Archive Scholar
CiteSeerX
ORCIDJournal of Chemical Information and Modeling, Volume 52
Volume 52, Number 1, January 2012
- Edgar A. Gatica, Claudio N. Cavasotto
:
Ligand and Decoy Sets for Docking to G Protein-Coupled Receptors. 1-6
- Kuei-Jen Lee:
Molecular Dynamics Simulations of a Hyperthermophilic and a Mesophilic Protein L30e. 7-15 - Jui-Hua Hsieh, Shuangye Yin, Xiang S. Wang, Shubin Liu, Nikolay V. Dokholyan, Alexander Tropsha:
Cheminformatics Meets Molecular Mechanics: A Combined Application of Knowledge-Based Pose Scoring and Physical Force Field-Based Hit Scoring Functions Improves the Accuracy of Structure-Based Virtual Screening. 16-28 - S. Joshua Swamidass, Bradley T. Calhoun, Joshua A. Bittker, Nicole E. Bodycombe, Paul A. Clemons:
Utility-Aware Screening with Clique-Oriented Prioritization. 29-37 - Xia Ning, Michael A. Walters, George Karypis:
Improved Machine Learning Models for Predicting Selective Compounds. 38-50 - Roger A. Sayle, Paul Hongxing Xie, Sorel Muresan:
Improved Chemical Text Mining of Patents with Infinite Dictionaries and Automatic Spelling Correction. 51-62
- Jing Shi, Xiong-Yi Huang, Hua-Jing Wang, Yao Fu:
Hydride Dissociation Energies of Six-Membered Heterocyclic Organic Hydrides Predicted by ONIOM-G4Method. 63-75 - Wasinee Khuntawee, Thanyada Rungrotmongkol, Supot Hannongbua:
Molecular Dynamic Behavior and Binding Affinity of Flavonoid Analogues to the Cyclin Dependent Kinase 6/cyclin D Complex. 76-83 - Eric L. First, Chrysanthos E. Gounaris, Christodoulos A. Floudas:
Stereochemically Consistent Reaction Mapping and Identification of Multiple Reaction Mechanisms through Integer Linear Optimization. 84-92 - Sadhana Kumbhar, Frank D. Fischer, Mark P. Waller:
Assessment of Weak Intermolecular Interactions Across QM/MM Noncovalent Boundaries. 93-98 - Sebastian A. Andujar, Rodrigo D. Tosso, Fernando D. Suvire, Emilio Angelina, Nelida Peruchena, Nuria Cabedo, Diego Cortes, Ricardo D. Enriz:
Searching the "Biologically Relevant"Conformation of Dopamine: A Computational Approach. 99-112
- M. Victoria Ruiz-Pérez, Almudena Pino-Ángeles, Miguel Angel Medina, Francisca Sánchez-Jiménez, Aurelio A. Moya-García:
Structural Perspective on the Direct Inhibition Mechanism of EGCG on Mammalian Histidine Decarboxylase and DOPA Decarboxylase. 113-119 - Alexander Metz, Christopher Pfleger, Hannes Kopitz, Stefania Pfeiffer-Marek, Karl-Heinz Baringhaus, Holger Gohlke:
Hot Spots and Transient Pockets: Predicting the Determinants of Small-Molecule Binding to a Protein-Protein Interface. 120-133
- Zoltán Simon, Ágnes Peragovics, Margit Vigh-Smeller, Gábor Csukly, László Tombor, Zhenhui Yang, Gergely Zahoránszky-Köhalmi, László Végner, Balázs Jelinek, Péter Hári, Csaba Hetényi, István Bitter, Pál Czobor, András Málnási-Csizmadia:
Drug Effect Prediction by Polypharmacology-Based Interaction Profiling. 134-145 - Kuei-Chung Shih, Chun-Yuan Lin, Hsiao-Chieh Chi, Chrong-Shiong Hwang, Ting-Shou Chen, Chuan Yi Tang, Naiwan Hsiao:
Design of Novel FLT-3 Inhibitors Based on Dual-Layer 3D-QSAR Model and Fragment-Based Compounds in Silico. 146-155 - Eric J. Martin, Prasenjit Mukherjee:
Kinase-Kernel Models: Accurate In silico Screening of 4 Million Compounds Across the Entire Human Kinome. 156-170 - Zhaomin Liu, A. Michael Crider, Daniel Ansbro, Christina Hayes, Maria Kontoyianni:
A Structure-Based Approach to Understanding Somatostatin Receptor-4 Agonism (sst4). 171-186 - Mengang Xu, Markus A. Lill:
Utilizing Experimental Data for Reducing Ensemble Size in Flexible-Protein Docking. 187-198 - David R. Hall, Chi-Ho Ngan, Brandon S. Zerbe, Dima Kozakov, Sandor Vajda:
Hot Spot Analysis for Driving the Development of Hits into Leads in Fragment-Based Drug Discovery. 199-209 - Eric Therrien, Pablo Englebienne, Andrew G. Arrowsmith, Rodrigo Mendoza-Sanchez, Christopher R. Corbeil, Nathanael Weill, Valérie Campagna-Slater, Nicolas Moitessier:
Integrating Medicinal Chemistry, Organic/Combinatorial Chemistry, and Computational Chemistry for the Discovery of Selective Estrogen Receptor Modulators with Forecaster, a Novel Platform for Drug Discovery. 210-224 - Fredrik Svensson, Anders Karlén, Christian Sköld:
Virtual Screening Data Fusion Using Both Structure- and Ligand-Based Methods. 225-232 - Robert Kiss, Mark Sandor, Anikó Gere, Éva Schmidt, György Balogh, Béla Kiss, László Molnár, Christian Lemmen, György M. Keserü:
Discovery of Novel Histamine H4 and Serotonin Transporter Ligands Using the Topological Feature Tree Descriptor. 233-242 - Varnavas D. Mouchlis, Vasiliki Michopoulou, Violetta Constantinou-Kokotou, Thomas M. Mavromoustakos, Edward A. Dennis, George Kokotos:
Binding Conformation of 2-Oxoamide Inhibitors to Group IVA Cytosolic Phospholipase A2 Determined by Molecular Docking Combined with Molecular Dynamics. 243-254
- Márton Münz, Philip C. Biggin:
JGromacs: A Java Package for Analyzing Protein Simulations. 255-259 - Vladimir V. Diky, Robert D. Chirico, Chris Muzny, Andrei F. Kazakov, Kenneth Kroenlein, Joseph W. Magee, Ilmutdin M. Abdulagatov, Jeong Won Kang, Michael Frenkel:
ThermoData Engine (TDE) Software Implementation of the Dynamic Data Evaluation Concept. 7. Ternary Mixtures. 260-276
Volume 52, Number 2, February 2012
Editorial
- Wendy A. Warr:
Ninth International Conference on Chemical Structures, June 5-9, 2011, Noordwijkerhout, The Netherlands. 277
- Man-Ling Lee, Ignacio Aliagas, Jennafer Dotson, Jianwen A. Feng, Alberto Gobbi, Timothy Heffron:
DEGAS: Sharing and Tracking Target Compound Ideas with External Collaborators. 278-284 - Alberto Gobbi, Man-Ling Lee:
Handling of Tautomerism and Stereochemistry in Compound Registration. 285-292 - Felix Rudolphi, Lukas J. Goossen:
Electronic Laboratory Notebook: The Academic Point of View. 293-301 - Paolo Tosco, Thomas Balle:
A 3D-QSAR-Driven Approach to Binding Mode and Affinity Prediction. 302-307 - Richard L. Martin, Berend Smit, Maciej Haranczyk:
Addressing Challenges of Identifying Geometrically Diverse Sets of Crystalline Porous Materials. 308-318 - Pekka Tiikkainen, Lutz Franke:
Analysis of Commercial and Public Bioactivity Databases. 319-326 - Lionel Colliandre, Vincent Le Guilloux, Stéphane Bourg, Luc Morin-Allory:
Visual Characterization and Diversity Quantification of Chemical Libraries: 2. Analysis and Selection of Size-Independent, Subspace-Specific Diversity Indices. 327-342 - David Sehnal, Radka Svobodová Vareková, Heinrich J. Huber, Stanislav Geidl, Crina-Maria Ionescu, Michaela Wimmerová, Jaroslav Koca:
SiteBinder: An Improved Approach for Comparing Multiple Protein Structural Motifs. 343-359 - Andrea Volkamer, Daniel Kuhn, Thomas Grombacher, Friedrich Rippmann, Matthias Rarey:
Combining Global and Local Measures for Structure-Based Druggability Predictions. 360-372 - Uta F. Lessel, Bernd Wellenzohn, J. Robert Fischer, Matthias Rarey:
Design of Combinatorial Libraries for the Exploration of Virtual Hits from Fragment Space Searches with LoFT. 373-379
- Modest von Korff, Joël Freyss, Thomas Sander, Christoph Boss, Claire-Lise Ciana:
Fighting High Molecular Weight in Bioactive Molecules with Sub-Pharmacophore-Based Virtual Screening. 380-390
- Jennifer A. Bayron, Amy M. Deveau, John M. Stubbs:
Conformational Analysis of 6α- and 6β-Naltrexol and Derivatives and Relationship to Opioid Receptor Affinity. 391-395
- Kunal Roy, Indrani Mitra, Supratik Kar, Probir Kumar Ojha, Rudra Narayan Das, Humayun Kabir:
Comparative Studies on Some Metrics for External Validation of QSPR Models. 396-408
- Jacob Poehlsgaard, Kasper Harpsøe, Flemming Steen Jørgensen, Lars Olsen:
A Robust Force Field Based Method for Calculating Conformational Energies of Charged Drug-Like Molecules. 409-419 - Jogoth Ali, Patrick Camilleri, Marc B. Brown, Andrew J. Hutt, Stewart B. Kirton:
Revisiting the General Solubility Equation: In Silico Prediction of Aqueous Solubility Incorporating the Effect of Topographical Polar Surface Area. 420-428 - Jana Sopkova-de Oliveira Santos, Anne Sophie Voisin-Chiret, Gregory Burzicki, Laure Sebaoun, Muriel Sebban, Jean-François Lohier, Rémi Legay, Hassan Oulyadi, Ronan Bureau, Sylvain Rault:
Structural Characterizations of Oligopyridyl Foldamers, α-Helix Mimetics. 429-439 - Se-Han Lee, Kwang-Hwi Cho, William E. Acree Jr., Kyoung Tai No:
Development of Surface-SFED Models for Polar Solvents. 440-448
- Jianzhuang Yao, Yuzhuo Chu, Ran An, Hong Guo:
Understanding Product Specificity of Protein Lysine Methyltransferases from QM/MM Molecular Dynamics and Free Energy Simulations: The Effects of Mutation on SET7/9 beyond the Tyr/Phe Switch. 449-456 - Johanna Jyrkkärinne, Jenni Küblbeck, Juha Pulkkinen, Paavo Honkakoski, Reino Laatikainen, Antti Poso, Tuomo Laitinen:
Molecular Dynamics Simulations for Human CAR Inverse Agonists. 457-464 - Diana Lousa, António M. Baptista, Cláudio M. Soares:
Analyzing the Molecular Basis of Enzyme Stability in Ethanol/Water Mixtures Using Molecular Dynamics Simulations. 465-473 - Luisa Di Paola, Paola Paci, Daniele Santoni, Micol De Ruvo, Alessandro Giuliani:
Proteins as Sponges: A Statistical Journey along Protein Structure Organization Principles. 474-482 - Matteo Chioccioli, Simone Marsili, Claudia Bonaccini, Piero Procacci, Paola Gratteri:
Insights into the Conformational Switching Mechanism of the Human Vascular Endothelial Growth Factor Receptor Type 2 Kinase Domain. 483-491
- Mohamed Diwan M. AbdulHameed, Sidhartha Chaudhury, Narender Singh, Hongmao Sun, Anders Wallqvist, Gregory J. Tawa:
Exploring Polypharmacology Using a ROCS-Based Target Fishing Approach. 492-505 - Ying-Ting Lin, Guan-Yu Chen:
A Scaffold-Independent Subcellular Event-Based Analysis: Characterization of Significant Structural Modifications. 506-514 - Horrick Sharma, Xiaolin Cheng, John K. Buolamwini:
Homology Model-Guided 3D-QSAR Studies of HIV-1 Integrase Inhibitors. 515-544
- Francesco Bettella, Dawid Rasinski, Ernst-Walter Knapp:
Protein Secondary Structure Prediction with SPARROW. 545-556 - Satoshi Yamasaki, Shugo Nakamura, Kazuhiko Fukui:
Prospects for Tertiary Structure Prediction of RNA Based on Secondary Structure Information. 557-567 - Valère Lounnas, Gert Vriend:
AsteriX: A Web Server To Automatically Extract Ligand Coordinates from Figures in PDF Articles. 568-576 - Michael Binns, Sam P. de Visser, Constantinos Theodoropoulos:
Modeling Flexible Pharmacophores with Distance Geometry, Scoring, and Bound Stretching. 577-588 - Subha Kalyaanamoorthy, Yi-Ping Phoebe Chen:
Exploring Inhibitor Release Pathways in Histone Deacetylases Using Random Acceleration Molecular Dynamics Simulations. 589-603 - Janez Konc, Tomo Cesnik, Joanna Trykowska Konc, Matej Penca, Dusanka Janezic:
ProBiS-Database: Precalculated Binding Site Similarities and Local Pairwise Alignments of PDB Structures. 604-612
- Matthew C. Swain:
chemicalize.org. 613-615
Volume 52, Number 3, March 2012
- Johannes Kirchmair, Mark J. Williamson, Jonathan D. Tyzack, Lu Tan, Peter J. Bond, Andreas Bender, Robert C. Glen:
Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms. 617-648
- Stefano Alcaro, Adriana Bolasco, Roberto Cirilli, Rosella Ferretti, Rossella Fioravanti, Francesco Ortuso:
Computer-Aided Molecular Design of Asymmetric Pyrazole Derivatives with Exceptional Enantioselective Recognition toward the Chiralcel OJ-H Stationary Phase. 649-654
- Feixiong Cheng, Yutaka Ikenaga, Yadi Zhou, Yue Yu, Weihua Li, Jie Shen, Zheng Du, Lei Chen, Congying Xu, Guixia Liu, Philip W. Lee, Yun Tang:
In Silico Assessment of Chemical Biodegradability. 655-669 - Ye Hu, Jürgen Bajorath:
Exploration of 3D Activity Cliffs on the Basis of Compound Binding Modes and Comparison of 2D and 3D Cliffs. 670-677
- Tammy Biniashvili, Ehud Schreiber, Yossef Kliger:
Improving Classical Substructure-Based Virtual Screening to Handle Extrapolation Challenges. 678-685 - Ya-Wen Hsiao, Carl Petersson, Mats Svensson, Ulf Norinder:
A Pragmatic Approach Using First-Principle Methods to Address Site of Metabolism with Implications for Reactive Metabolite Formation. 686-695 - Falgun Shah, Jiri Gut, Jennifer Legac, Devleena Shivakumar, Woody Sherman, Philip J. Rosenthal, Mitchell A. Avery:
Computer-Aided Drug Design of Falcipain Inhibitors: Virtual Screening, Structure-Activity Relationships, Hydration Site Thermodynamics, and Reactivity Analysis. 696-710 - Varnavas D. Mouchlis, Georgia Melagraki, Thomas M. Mavromoustakos, George Kollias, Antreas Afantitis:
Molecular Modeling on Pyrimidine-Urea Inhibitors of TNF-α Production: An Integrated Approach Using a Combination of Molecular Docking, Classification Techniques, and 3D-QSAR CoMSIA. 711-723 - Miklos Feher, Christopher I. Williams:
Numerical Errors and Chaotic Behavior in Docking Simulations. 724-738
- Markus Sitzmann, Iwona E. Weidlich, Igor V. Filippov, Chenzhong Liao, Megan L. Peach, Wolf-Dietrich Ihlenfeldt, Rajeshri G. Karki, Yulia V. Borodina, Raul E. Cachau, Marc C. Nicklaus:
PDB Ligand Conformational Energies Calculated Quantum-Mechanically. 739-756
- Richard L. Martin, Eleanor J. Gardiner, Stefan Senger, Valerie J. Gillet:
Compression of Molecular Interaction Fields Using Wavelet Thumbnails: Application to Molecular Alignment. 757-769 - Karim M. ElSawy, Reidun Twarock, Chandra S. Verma, Leo S. D. Caves:
Peptide Inhibitors of Viral Assembly: A Novel Route to Broad-Spectrum Antivirals. 770-776 - Prashant Khare, Amit K. Gupta, Praveen K. Gajula, Krishna Y. Sunkari, Anil K. Jaiswal, Sanchita Das, Preeti Bajpai, Tushar K. Chakraborty, Anuradha Dube, Anil K. Saxena:
Identification of Novel S-Adenosyl-l-Homocysteine Hydrolase Inhibitors through Homology-Model-Based Virtual Screening, Synthesis, and Biological Evaluation. 777-791 - Bin Chen, Robert P. Sheridan, Viktor Hornak, Johannes H. Voigt:
Comparison of Random Forest and Pipeline Pilot Naïve Bayes in Prospective QSAR Predictions. 792-803 - Vojtech Spiwok, Katarína Hlat-Glembová, Igor Tvaroska, Blanka Králová:
Conformational Free Energy Modeling of Druglike Molecules by Metadynamics in the WHIM Space. 804-813 - Robert P. Sheridan:
Three Useful Dimensions for Domain Applicability in QSAR Models Using Random Forest. 814-823
- Maria Kontoyianni, Christopher B. Rosnick:
Functional Prediction of Binding Pockets. 824-833 - Hong Kang, Zhen Sheng, Ruixin Zhu, Qi Huang, Qi Liu, Zhiwei Cao:
Virtual Drug Screen Schema Based on Multiview Similarity Integration and Ranking Aggregation. 834-843 - Matthias Dietzen, Elena Zotenko, Andreas Hildebrandt, Thomas Lengauer:
On the Applicability of Elastic Network Normal Modes in Small-Molecule Docking. 844-856 - Frank H. Allen, Colin R. Groom, John W. Liebeschuetz, David A. Bardwell, Tjelvar S. G. Olsson, Peter A. Wood:
The Hydrogen Bond Environments of 1H-Tetrazole and Tetrazolate Rings: The Structural Basis for Tetrazole-Carboxylic Acid Bioisosterism. 857-866
Volume 52, Number 4, April 2012
- Thomas Scior, Andreas Bender, Gary Tresadern, José L. Medina-Franco, Karina Martínez-Mayorga, Thierry Langer, Karina Cuanalo-Contreras, Dimitris K. Agrafiotis:
Recognizing Pitfalls in Virtual Screening: A Critical Review. 867-881
- Cristiano R. W. Guimarães, Alan M. Mathiowetz, Marina Shalaeva, Gilles Goetz, Spiros Liras:
Use of 3D Properties to Characterize Beyond Rule-of-5 Property Space for Passive Permeation. 882-890
- Ramzi Nasr, Rares Vernica, Chen Li, Pierre Baldi:
Speeding Up Chemical Searches Using the Inverted Index: The Convergence of Chemoinformatics and Text Search Methods. 891-900 - Satoshi Niijima, Akira Shiraishi, Yasushi Okuno:
Dissecting Kinase Profiling Data to Predict Activity and Understand Cross-Reactivity of Kinase Inhibitors. 901-912 - Jianwei Che, Frederick J. King, Bin Zhou, Yingyao Zhou:
Chemical and Biological Properties of Frequent Screening Hits. 913-926 - Vigneshwaran Namasivayam, Jürgen Bajorath:
Searching for Coordinated Activity Cliffs Using Particle Swarm Optimization. 927-934 - Disha Gupta-Ostermann, Mathias Wawer, Anne Mai Wassermann, Jürgen Bajorath:
Graph Mining for SAR Transfer Series. 935-942 - Jamel Meslamani, Jiabo Li, Jon M. Sutter, Adrian Stevens, Hugues-Olivier Bertrand, Didier Rognan:
Protein-Ligand-Based Pharmacophores: Generation and Utility Assessment in Computational Ligand Profiling. 943-955
- Simon J. Cottrell, Tjelvar S. G. Olsson, Robin Taylor, Jason C. Cole, John W. Liebeschuetz:
Validating and Understanding Ring Conformations Using Small Molecule Crystallographic Data. 956-962 - Adel Hamza, Ning-Ning Wei, Chang-Guo Zhan:
Ligand-Based Virtual Screening Approach Using a New Scoring Function. 963-974 - Stefan Brandmaier, Ullrika Sahlin, Igor V. Tetko, Tomas Öberg:
PLS-Optimal: A Stepwise D-Optimal Design Based on Latent Variables. 975-983 - Jong Young Joung, Ky-Youb Nam, Kwang-Hwi Cho, Kyoung Tai No:
Ligand Aligning Method for Molecular Docking: Alignment of Property-Weighted Vectors. 984-995 - Qishi Du, Jing Gao, Yu-Tuo Wei, Li-Qin Du, Shu-Qing Wang, Ri-Bo Huang:
Structure-Based and Multiple Potential Three-Dimensional Quantitative Structure-Activity Relationship (SB-MP-3D-QSAR) for Inhibitor Design. 996-1004
- Zhiwei Feng, Tingjun Hou, Youyong Li:
Studies on the Interactions between β2 Adrenergic Receptor and Gs Protein by Molecular Dynamics Simulations. 1005-1014
- Tomohiro Sato, Hitomi Yuki, Daisuke Takaya, Shunta Sasaki, Akiko Tanaka, Teruki Honma:
Application of Support Vector Machine to Three-Dimensional Shape-Based Virtual Screening Using Comprehensive Three-Dimensional Molecular Shape Overlay with Known Inhibitors. 1015-1026 - Emanuele Perola, Lee Herman, Jonathan Weiss:
Development of a Rule-Based Method for the Assessment of Protein Druggability. 1027-1038 - György G. Ferenczy, György M. Keserü:
Thermodynamics of Fragment Binding. 1039-1045 - Bingjie Hu, Markus A. Lill:
Protein Pharmacophore Selection Using Hydration-Site Analysis. 1046-1060 - Ahmed M. El Kerdawy, Christian R. Wick, Matthias Hennemann, Timothy Clark:
Predicting the Sites and Energies of Noncovalent Intermolecular Interactions Using Local Properties. 1061-1071
- Jonas Feldt, Ricardo A. Mata, Johannes M. Dieterich:
Atomdroid: A Computational Chemistry Tool for Mobile Platforms. 1072-1078
Volume 52, Number 5, May 2012
- Puneet Kacker, Matteo Masetti, Martina Mangold, Giovanni Bottegoni, Andrea Cavalli:
Combining Dyad Protonation and Active Site Plasticity in BACE-1 Structure-Based Drug Design. 1079-1085
- Obdulia Rabal, Julen Oyarzabal:
Using Novel Descriptor Accounting for Ligand-Receptor Interactions To Define and Visually Explore Biologically Relevant Chemical Space. 1086-1102 - Guoping Hu, Guanglin Kuang, Wen Xiao, Weihua Li, Guixia Liu, Yun Tang:
Performance Evaluation of 2D Fingerprint and 3D Shape Similarity Methods in Virtual Screening. 1103-1113 - Meihua Tu, Brajesh K. Rai, Alan M. Mathiowetz, Mary Didiuk, Jeffrey A. Pfefferkorn, Angel Guzman-Perez, John Benbow, Cristiano R. W. Guimarães, Scot Mente, Matthew M. Hayward, Spiros Liras:
Exploring Aromatic Chemical Space with NEAT: Novel and Electronically Equivalent Aromatic Template. 1114-1123 - Edward O. Cannon:
New Benchmark for Chemical Nomenclature Software. 1124-1131 - Dongyue Cao, Junmei Wang, Rui Zhou, Youyong Li, Huidong Yu, Tingjun Hou:
ADMET Evaluation in Drug Discovery. 11. PharmacoKinetics Knowledge Base (PKKB): A Comprehensive Database of Pharmacokinetic and Toxic Properties for Drugs. 1132-1137 - Xiaoying Hu, Ye Hu, Martin Vogt, Dagmar Stumpfe, Jürgen Bajorath:
MMP-Cliffs: Systematic Identification of Activity Cliffs on the Basis of Matched Molecular Pairs. 1138-1145
- Jean-Paul Ebejer, Garrett M. Morris, Charlotte M. Deane:
Freely Available Conformer Generation Methods: How Good Are They? 1146-1158 - Frederico Pratas, Leonel Sousa, Johannes M. Dieterich, Ricardo A. Mata:
Computation of Induced Dipoles in Molecular Mechanics Simulations Using Graphics Processors. 1159-1166 - Markus Hartenfeller, Martin Eberle, Peter Meier, Cristina Nieto-Oberhuber, Karl-Heinz Altmann, Gisbert Schneider, Edgar Jacoby, Steffen Renner:
Probing the Bioactivity-Relevant Chemical Space of Robust Reactions and Common Molecular Building Blocks. 1167-1178 - Jarmila Husby, Alan K. Todd, Shozeb M. Haider, Giovanna Zinzalla, David E. Thurston, Stephen Neidle:
Molecular Dynamics Studies of the STAT3 Homodimer: DNA Complex: Relationships between STAT3 Mutations and Protein-DNA Recognition. 1179-1192