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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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