Validation and use of the MM-PBSA approach for drug discovery

Journal of Medicinal Chemistry

Volumn 48, Issue 12, 2005, Pages 4040-4048

  Kuhn, Bernd ^a   Gerber, Paul ^a   Schulz Gasch, Tanja ^a   Stahl, Martin ^a  

^a F HOFFMANN LA ROCHE LTD   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

1,7,8A TRIAZANAPHTHALEN 6 ONE; 2 (4 HYDROXYPHENYLAZO)BENZOIC ACID; 2 AMINO 8 METHYL 8H PYRIDO[2,3 D]PYRIMIDIN 7 ONE; 2 AMINOPYRIMIDINE; 2 KETOANILINE; 3 AMINO 4 KETOPYRAZOLE; 4 AMINOQUINAZOLINE; ANILINE DERIVATIVE; AVIDIN; BIOTIN; BIOTIN DERIVATIVE; CYCLOOXYGENASE 2; ESTROGEN RECEPTOR; GELATINASE A; LIGAND; MITOGEN ACTIVATED PROTEIN KINASE P38; MITOGEN ACTIVATED PROTEIN KINASE P38 INHIBITOR; NAPHTHALENE DERIVATIVE; PYRAZOLE DERIVATIVE; PYRIMIDINE DERIVATIVE; QUINAZOLINE DERIVATIVE; SIALIDASE; THROMBIN; UNCLASSIFIED DRUG;

ANALYTIC METHOD; ARTICLE; BINDING AFFINITY; BINDING KINETICS; DRUG PROTEIN BINDING; DRUG SCREENING; DRUG STRUCTURE; INTERMETHOD COMPARISON; LIGAND BINDING; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; MOLECULAR MODEL; PROTEIN STRUCTURE; SCREENING; SOLVATION; STRUCTURE ANALYSIS;

BINDING SITES; DRUG DESIGN; LIGANDS; MOLECULAR STRUCTURE; PROTEIN BINDING; PROTEINS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOLVENTS; THERMODYNAMICS;

EID: 20444377245     PISSN: 00222623     EISSN: None     Source Type: Journal    
DOI: 10.1021/jm049081q     Document Type: Article

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