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Volumn 7, Issue 3, 1993, Pages 305-323
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An approximate but efficient method to calculate free energy trends by computer simulation: Application to dihydrofolate reductase-inhibitor complexes
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Author keywords
DHFR inhibitor complexes; Free energy differences; Linear approximation; Molecular dynamics
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Indexed keywords
DIHYDROFOLATE REDUCTASE;
DRUG DERIVATIVE;
FOLIC ACID ANTAGONIST;
TRIMETHOPRIM;
ANIMAL;
ARTICLE;
CHEMICAL MODEL;
CHEMISTRY;
CHICKEN;
COMPUTER SIMULATION;
DRUG DESIGN;
ENZYMOLOGY;
ESCHERICHIA COLI;
IN VITRO STUDY;
STRUCTURE ACTIVITY RELATION;
THERMODYNAMICS;
ANIMAL;
CHICKENS;
COMPUTER SIMULATION;
DRUG DESIGN;
ESCHERICHIA COLI;
FOLIC ACID ANTAGONISTS;
IN VITRO;
MODELS, CHEMICAL;
STRUCTURE-ACTIVITY RELATIONSHIP;
TETRAHYDROFOLATE DEHYDROGENASE;
THERMODYNAMICS;
TRIMETHOPRIM;
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EID: 0027613969
PISSN: 0920654X
EISSN: 15734951
Source Type: Journal
DOI: 10.1007/BF00125505 Document Type: Article |
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Times cited : (47)
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References (15)
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