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Volumn 13, Issue 10, 2007, Pages 1081-1097
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Calculation of binding affinities of HIV-1 RT and β-secretase inhibitors using the linear interaction energy method with explicit and continuum solvation approaches
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Author keywords
Binding energy; Drug design; Linear interaction energy; Molecular dynamics
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Indexed keywords
BETA SECRETASE;
BETA SECRETASE INHIBITOR;
RNA DIRECTED DNA POLYMERASE;
RNA DIRECTED DNA POLYMERASE INHIBITOR;
WATER;
ARTICLE;
BINDING AFFINITY;
DRUG BINDING;
DRUG DESIGN;
DRUG STRUCTURE;
ELECTRIC POTENTIAL;
HUMAN IMMUNODEFICIENCY VIRUS 1;
LIGAND BINDING;
LINEAR SYSTEM;
MOLECULAR DYNAMICS;
MOLECULAR INTERACTION;
MOLECULAR MODEL;
PRIORITY JOURNAL;
SOLVATION;
AMYLOID PRECURSOR PROTEIN SECRETASES;
CHEMISTRY, PHARMACEUTICAL;
COMPUTER SIMULATION;
DRUG DESIGN;
ELECTROSTATICS;
HIV-1 REVERSE TRANSCRIPTASE;
LIGANDS;
MODELS, CHEMICAL;
PROTEIN BINDING;
REVERSE TRANSCRIPTASE INHIBITORS;
SOLVENTS;
THERMODYNAMICS;
TIME FACTORS;
HUMAN IMMUNODEFICIENCY VIRUS 1;
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EID: 34548153080
PISSN: 16102940
EISSN: 09485023
Source Type: Journal
DOI: 10.1007/s00894-007-0229-0 Document Type: Article |
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Times cited : (6)
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References (58)
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