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@article{DBLP:journals/jcamd/ApayaLPV95, author = {Robert P. Apaya and Baldo Lucchese and Sarah L. Price and Jeremy G. Vinter}, title = {The matching of electrostatic extrema: {A} useful method in drug design? {A} study of phosphodiesterase {III} inhibitors}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {1}, pages = {33--43}, year = {1995}, url = {https://doi.org/10.1007/BF00117276}, doi = {10.1007/BF00117276}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/ApayaLPV95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/BarakatD95, author = {M. T. Barakat and P. M. Dean}, title = {The atom assignment problem in automated de novo drug design. 1. Transferability of molecular fragment properties}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {4}, pages = {341--350}, year = {1995}, url = {https://doi.org/10.1007/BF00125175}, doi = {10.1007/BF00125175}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/BarakatD95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/BarakatD95a, author = {M. T. Barakat and P. M. Dean}, title = {The atom assignment problem in automated de novo drug design. 2. {A} method for molecular graph and fragment perception}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {4}, pages = {351--358}, year = {1995}, url = {https://doi.org/10.1007/BF00125176}, doi = {10.1007/BF00125176}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/BarakatD95a.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/BarakatD95b, author = {M. T. Barakat and P. M. Dean}, title = {The atom assignment problem in automated de novo drug design. 3. Algorithms for optimization of fragment placement onto 3D molecular graphs}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {4}, pages = {359--372}, year = {1995}, url = {https://doi.org/10.1007/BF00125177}, doi = {10.1007/BF00125177}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/BarakatD95b.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/BarakatD95c, author = {M. T. Barakat and P. M. Dean}, title = {The atom assignment problem in automated de novo drug design. 4. Tests for site-directed fragment placement based on molecular complementarity}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {5}, pages = {448--456}, year = {1995}, url = {https://doi.org/10.1007/BF00124002}, doi = {10.1007/BF00124002}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/BarakatD95c.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/BarakatD95d, author = {M. T. Barakat and P. M. Dean}, title = {The atom assignment problem in automated de novo drug design. 5. Tests for envelope-directed fragment placement based on molecular similarity}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {5}, pages = {457--462}, year = {1995}, url = {https://doi.org/10.1007/BF00124003}, doi = {10.1007/BF00124003}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/BarakatD95d.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/BoydBNH95, author = {Susan M. Boyd and Martin Beverley and Leif Norskov and Roderick E. Hubbard}, title = {Characterising the geometric diversity of functional groups in chemical databases}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {5}, pages = {417--424}, year = {1995}, url = {https://doi.org/10.1007/BF00123999}, doi = {10.1007/BF00123999}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/BoydBNH95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/CarottiACMBLTT95, author = {Angelo Carotti and Cosimo Altomare and Saverio Cellamare and AnnaMaria Monforte and Giancarlo Bettoni and Fulvio Loiodice and Nicola Tangari and Vincenzo Tortorella}, title = {{LFER} and CoMFA studies on optical resolution of alpha-alkyl alpha-aryloxy acetic acid methl esters on {DACH-DNB} chiral stationary phase}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {2}, pages = {131--138}, year = {1995}, url = {https://doi.org/10.1007/BF00124403}, doi = {10.1007/BF00124403}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/CarottiACMBLTT95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/ClarkFLLMRWW95, author = {David E. Clark and David Frenkel and Stephen A. Levy and Jin Li and Christopher W. Murray and Barry Robson and Bohdan Waszkowycz and David R. Westhead}, title = {PRO{\_}LIGAND: An approach to de novo molecular design. 1. Application to the design of organic molecules}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {1}, pages = {13--32}, year = {1995}, url = {https://doi.org/10.1007/BF00117275}, doi = {10.1007/BF00117275}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/ClarkFLLMRWW95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/DammkoehlerKSM95, author = {Richard A. Dammkoehler and Steven F. Karasek and E. F. Berkley Shands and Garland R. Marshall}, title = {Sampling conformational hyperspace: Techniques for improving completeness}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {6}, pages = {491--499}, year = {1995}, url = {https://doi.org/10.1007/BF00124320}, doi = {10.1007/BF00124320}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/DammkoehlerKSM95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/FantucciMRV95, author = {Piercarlo Fantucci and Tiziana Marino and Nino Russo and Anna Maria Villa}, title = {Conformational behaviour of the antineoplastic peptide dolastatin-10 and of two mutated derivatives}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {5}, pages = {425--438}, year = {1995}, url = {https://doi.org/10.1007/BF00124000}, doi = {10.1007/BF00124000}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/FantucciMRV95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/FrenkelCLMRWW95, author = {David Frenkel and David E. Clark and Jin Li and Christopher W. Murray and Barry Robson and Bohdan Waszkowycz and David R. Westhead}, title = {PRO{\_}LIGAND: An approach to de novo molecular design. 4. Application to the design of peptides}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {3}, pages = {213--225}, year = {1995}, url = {https://doi.org/10.1007/BF00124453}, doi = {10.1007/BF00124453}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/FrenkelCLMRWW95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/FuretCLPSTT95, author = {Pascal Furet and Giorgio Caravatti and Nicholas Lydon and John P. Priestle and Janusz M. Sowadski and Uwe Trinks and Peter Traxler}, title = {Modelling study of protein kinase inhibitors: Binding mode of staurosporine and origin of the selectivity of {CGP} 52411}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {6}, pages = {465--472}, year = {1995}, url = {https://doi.org/10.1007/BF00124317}, doi = {10.1007/BF00124317}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/FuretCLPSTT95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/GerberM95, author = {Paul R. Gerber and Klaus M{\"{u}}ller}, title = {MAB, a generally applicable molecular force field for structure modelling in medicinal chemistry}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {3}, pages = {251--268}, year = {1995}, url = {https://doi.org/10.1007/BF00124456}, doi = {10.1007/BF00124456}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/GerberM95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/GlenP95, author = {Robert C. Glen and A. W. R. Payne}, title = {A genetic algorithm for the automated generation of molecules within constraints}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {2}, pages = {181--202}, year = {1995}, url = {https://doi.org/10.1007/BF00124408}, doi = {10.1007/BF00124408}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/GlenP95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/GoodEGK95, author = {Andrew C. Good and Todd J. A. Ewing and Daniel A. Gschwend and Irwin D. Kuntz}, title = {New molecular shape descriptors: Application in database screening}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {1}, pages = {1--12}, year = {1995}, url = {https://doi.org/10.1007/BF00117274}, doi = {10.1007/BF00117274}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/GoodEGK95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/GoodK95, author = {Andrew C. Good and Irwin D. Kuntz}, title = {Investigating the extension of pairwise distance pharmacophore measures to triplet-based descriptors}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {4}, pages = {373--379}, year = {1995}, url = {https://doi.org/10.1007/BF00125178}, doi = {10.1007/BF00125178}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/GoodK95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/GreenidgeMF95, author = {Paulette A. Greenidge and Alfred Merz and Gerd Folkers}, title = {A pseudoreceptor modelling study of the varicella-zoster virus and human thymidine kinase binding sites}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {6}, pages = {473--478}, year = {1995}, url = {https://doi.org/10.1007/BF00124318}, doi = {10.1007/BF00124318}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/GreenidgeMF95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/HoM95, author = {Chris M. W. Ho and Garland R. Marshall}, title = {{DBMAKER:} {A} set of programs to generate three-dimensional databases based upon user-specified criteria}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {1}, pages = {65--86}, year = {1995}, url = {https://doi.org/10.1007/BF00117279}, doi = {10.1007/BF00117279}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/HoM95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/JaegerPT95, author = {Edward P. Jaeger and Melissa L. Peterson and Adi M. Treasurywala}, title = {Conformational energy downward driver {(CEDD):} Characterization and calibration of the method}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {1}, pages = {55--64}, year = {1995}, url = {https://doi.org/10.1007/BF00117278}, doi = {10.1007/BF00117278}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/JaegerPT95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/JonesWG95, author = {Gareth Jones and Peter Willett and Robert C. Glen}, title = {A genetic algorithm for flexible molecular overlay and pharmacophore elucidation}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {6}, pages = {532--549}, year = {1995}, url = {https://doi.org/10.1007/BF00124324}, doi = {10.1007/BF00124324}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/JonesWG95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/Kim95, author = {Ki Hwan Kim}, title = {Calculation of hydrophobic parameters directly from three-dimensional structures using comparative molecular field analysis}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {4}, pages = {308--318}, year = {1995}, url = {https://doi.org/10.1007/BF00125172}, doi = {10.1007/BF00125172}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/Kim95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/KlopmanL95, author = {Gilles Klopman and Ju{-}Yun Li}, title = {Quantitative structure-agonist activity relationship of capsaicin analogues}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {3}, pages = {283--294}, year = {1995}, url = {https://doi.org/10.1007/BF00124458}, doi = {10.1007/BF00124458}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/KlopmanL95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/KroemerH95, author = {Romano T. Kroemer and Peter Hecht}, title = {Replacement of steric 6-12 potential-derived interaction energies by atom-based indicator variables in CoMFA leads to models of higher consistency}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {3}, pages = {205--212}, year = {1995}, url = {https://doi.org/10.1007/BF00124452}, doi = {10.1007/BF00124452}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/KroemerH95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/KroemerH95a, author = {Romano T. Kroemer and Peter Hecht}, title = {A new procedure for improving the predictiveness of CoMFA models and its application to a set of dihydrofolate reductase inhibitors}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {5}, pages = {396--406}, year = {1995}, url = {https://doi.org/10.1007/BF00123997}, doi = {10.1007/BF00123997}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/KroemerH95a.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/LaakTLNSK95, author = {Anton M. ter Laak and Hendrik Timmerman and Rob Leurs and Paul H. J. Nederkoorn and Martine J. Smit and Gabri{\"{e}}lle M. Donn{\'{e}}{-}Op den Kelder}, title = {Modelling and mutation studies on the histamine H\({}_{\mbox{1}}\)-receptor agonist binding site reveal different binding modes for H\({}_{\mbox{1}}\)-agonists: Asp\({}^{\mbox{116}}\) {(TM3)} has a constitutive role in receptor stimulation}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {4}, pages = {319--330}, year = {1995}, url = {https://doi.org/10.1007/BF00125173}, doi = {10.1007/BF00125173}, timestamp = {Thu, 14 Oct 2021 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/LaakTLNSK95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/McMartinB95, author = {Colin McMartin and Regine S. Bohacek}, title = {Flexible matching of test ligands to a 3D pharmacophore using a molecular superposition force field: Comparison of predicted and experimental conformations of inhibitors of three enzymes}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {3}, pages = {237--250}, year = {1995}, url = {https://doi.org/10.1007/BF00124455}, doi = {10.1007/BF00124455}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/McMartinB95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/MeasuresMAC95, author = {Peter T. Measures and Katherine A. Mort and Neil L. Allan and David L. Cooper}, title = {Applications of momentum-space similarity}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {4}, pages = {331--340}, year = {1995}, url = {https://doi.org/10.1007/BF00125174}, doi = {10.1007/BF00125174}, timestamp = {Tue, 29 Dec 2020 00:00:00 +0100}, biburl = {https://dblp.org/rec/journals/jcamd/MeasuresMAC95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/MeddebCBBVD95, author = {Sonja Meddeb and Fran{\c{c}}ois{-}Regis Chalaoux and Jean{-}Pierre Ballini and Daniel Baron and Paul Vigny and Jean{-}Philippe Demaret}, title = {Structure determination of a tetradecapeptide mimicking the {RXVRG} consensus sequence recognized by a Xenopus laevis skin endoprotease: An approach based on simulated annealing and \({}^{\mbox{1}}\)H {NMR}}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {2}, pages = {160--170}, year = {1995}, url = {https://doi.org/10.1007/BF00124406}, doi = {10.1007/BF00124406}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/MeddebCBBVD95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/MurrayCB95, author = {Christopher W. Murray and David E. Clark and Deirdre G. Byrne}, title = {PRO{\_}LIGAND: An approach to de novo molecular design. 6. Flexible fitting in the design of peptides}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {5}, pages = {381--395}, year = {1995}, url = {https://doi.org/10.1007/BF00123996}, doi = {10.1007/BF00123996}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/MurrayCB95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/OlsonSH95, author = {Mark A. Olson and John P. Scovill and Dallas C. Hack}, title = {Simulation analysis of formycin 5'-monophosphate analog substrates in the ricin A-chain active site}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {3}, pages = {226--236}, year = {1995}, url = {https://doi.org/10.1007/BF00124454}, doi = {10.1007/BF00124454}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/OlsonSH95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/OshiroKD95, author = {Connie M. Oshiro and Irwin D. Kuntz and J. Scott Dixon}, title = {Flexible ligand docking using a genetic algorithm}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {2}, pages = {113--130}, year = {1995}, url = {https://doi.org/10.1007/BF00124402}, doi = {10.1007/BF00124402}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/OshiroKD95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/OyasuNTMM95, author = {Hitoshi Oyasu and Isao Nakanishi and Akito Tanaka and Kenji Murano and Masaaki Matsuo}, title = {Conformational studies on the four stereoisomers of the novel anticholinergic 4-(dimethylamino)-2-phenyl-2-(2-pyridyl)pentanamide}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {2}, pages = {171--180}, year = {1995}, url = {https://doi.org/10.1007/BF00124407}, doi = {10.1007/BF00124407}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/OyasuNTMM95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/PerkinsMD95, author = {Tim D. J. Perkins and J. E. J. Mills and Philip M. Dean}, title = {Molecular surface-volume and property matching to superpose flexible dissimilar molecules}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {6}, pages = {479--490}, year = {1995}, url = {https://doi.org/10.1007/BF00124319}, doi = {10.1007/BF00124319}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/PerkinsMD95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/PoornimaD95, author = {C. S. Poornima and P. M. Dean}, title = {Hydration in drug design. 1. Multiple hydrogen-bonding features of water molecules in mediating protein-ligand interactions}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {6}, pages = {500--512}, year = {1995}, url = {https://doi.org/10.1007/BF00124321}, doi = {10.1007/BF00124321}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/PoornimaD95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/PoornimaD95a, author = {C. S. Poornima and P. M. Dean}, title = {Hydration in drug design. 2. Influence of local site surface shape on water binding}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {6}, pages = {513--520}, year = {1995}, url = {https://doi.org/10.1007/BF00124322}, doi = {10.1007/BF00124322}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/PoornimaD95a.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/PoornimaD95b, author = {C. S. Poornima and P. M. Dean}, title = {Hydration in drug design. 3. Conserved water molecules at the ligand-binding sites of homologous proteins}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {6}, pages = {521--531}, year = {1995}, url = {https://doi.org/10.1007/BF00124323}, doi = {10.1007/BF00124323}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/PoornimaD95b.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/RoeK95, author = {Diana C. Roe and Irwin D. Kuntz}, title = {{BUILDER} v.2: Improving the chemistry of a de novo design strategy}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {3}, pages = {269--282}, year = {1995}, url = {https://doi.org/10.1007/BF00124457}, doi = {10.1007/BF00124457}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/RoeK95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/ShemetulskisDDMH95, author = {Norah E. Shemetulskis and James B. Dunbar Jr. and Bonnie W. Dunbar and David W. Moreland and Christine Humblet}, title = {Enhancing the diversity of a corporate database using chemical database clustering and analysis}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {5}, pages = {407--416}, year = {1995}, url = {https://doi.org/10.1007/BF00123998}, doi = {10.1007/BF00123998}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/ShemetulskisDDMH95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/StorerGCT95, author = {Joey W. Storer and David J. Giesen and Christopher J. Cramer and Donald G. Truhlar}, title = {Class {IV} charge models: {A} new semiempirical approach in quantum chemistry}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {1}, pages = {87--110}, year = {1995}, url = {https://doi.org/10.1007/BF00117280}, doi = {10.1007/BF00117280}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/StorerGCT95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/VenanziBV95, author = {Thomas J. Venanzi and Bruce P. Bryant and Carol A. Venanzi}, title = {Computational analysis of binding affinity and neural response at the L-alanine receptor}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {5}, pages = {439--447}, year = {1995}, url = {https://doi.org/10.1007/BF00124001}, doi = {10.1007/BF00124001}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/VenanziBV95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/VinterT95, author = {Jeremy G. Vinter and K. I. Trollope}, title = {Multiconformational composite molecular potential fields in the analysis of drug action. I. Methodology and first evaluation using 5-HT and histamine action as examples}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {4}, pages = {297--307}, year = {1995}, url = {https://doi.org/10.1007/BF00125171}, doi = {10.1007/BF00125171}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/VinterT95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/WendenPAIS95, author = {Eleonora M. van der Wenden and Sarah L. Price and Robert P. Apaya and Adriaan P. IJzerman and Willem Soudijn}, title = {Relative binding orientations of adenosine A\({}_{\mbox{1}}\) receptor ligands - {A} test case for Distributed Multipole Analysis in medicinal chemistry}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {1}, pages = {44--54}, year = {1995}, url = {https://doi.org/10.1007/BF00117277}, doi = {10.1007/BF00117277}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/WendenPAIS95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/WestheadCFLMRW95, author = {David R. Westhead and David E. Clark and David Frenkel and Jin Li and Christopher W. Murray and Barry Robson and Bohdan Waszkowycz}, title = {PRO{\_}LIGAND: An approach to de novo molecular design. 3. {A} genetic algorithm for structure refinement}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {2}, pages = {139--148}, year = {1995}, url = {https://doi.org/10.1007/BF00124404}, doi = {10.1007/BF00124404}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/WestheadCFLMRW95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
@article{DBLP:journals/jcamd/Zauhar95, author = {Randy J. Zauhar}, title = {{SMART:} {A} solvent-accessible triangulated surface generator for molecular graphics and boundary element applications}, journal = {J. Comput. Aided Mol. Des.}, volume = {9}, number = {2}, pages = {149--159}, year = {1995}, url = {https://doi.org/10.1007/BF00124405}, doi = {10.1007/BF00124405}, timestamp = {Thu, 16 Apr 2020 01:00:00 +0200}, biburl = {https://dblp.org/rec/journals/jcamd/Zauhar95.bib}, bibsource = {dblp computer science bibliography, https://dblp.org} }
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