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Volumn 10, Issue 5, 1996, Pages 372-396
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Computational combinatorial ligand design: Application to human α-thrombin
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Author keywords
CCLD; Combinatorial chemistry; Desolvation; Electrostatic screening; Finite difference poisson boltzmann technique; Functional group; Structure based drug design; Thrombin
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Indexed keywords
BINDING ENERGY;
BOLTZMANN EQUATION;
ELECTROSTATICS;
ENZYMES;
FREE ENERGY;
POISSON EQUATION;
SOLVATION;
BOLTZMANN TECHNIQUES;
COMBINATORIAL CHEMISTRY;
COMPUTATIONAL COMBINATORIAL LIGAND DESIGN;
DESOLVATION;
ELECTROSTATIC SCREENING;
FINITE-DIFFERENCE POISSON-BOLTZMANN TECHNIQUE;
LIGAND DESIGN;
POISSON-BOLTZMANN;
STRUCTURE BASED DRUG DESIGNS;
THROMBIN;
LIGANDS;
ENZYME INHIBITOR;
LIGAND;
METHYLGUANIDINE;
PYRROLIDINE DERIVATIVE;
THROMBIN;
ARTICLE;
BINDING SITE;
CHEMICAL STRUCTURE;
CHEMISTRY;
COMPUTER AIDED DESIGN;
COMPUTER PROGRAM;
DRUG ANTAGONISM;
DRUG DESIGN;
ELECTRICITY;
HUMAN;
MACROMOLECULE;
PROTEIN CONFORMATION;
THERMODYNAMICS;
BINDING SITES;
COMPUTER-AIDED DESIGN;
DRUG DESIGN;
ELECTROSTATICS;
ENZYME INHIBITORS;
HUMANS;
LIGANDS;
MACROMOLECULAR SUBSTANCES;
METHYLGUANIDINE;
MODELS, MOLECULAR;
MOLECULAR STRUCTURE;
PROTEIN CONFORMATION;
PYRROLIDINES;
SOFTWARE;
THERMODYNAMICS;
THROMBIN;
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EID: 0030256270
PISSN: 0920654X
EISSN: None
Source Type: Journal
DOI: 10.1007/BF00124471 Document Type: Article |
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Times cited : (62)
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References (1)
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