gCOMBIIME: A graphical user interface to perform structure-based comparative binding energy (COMBINE) analysis on a set of ligand-receptor complexes

Proteins: Structure, Function and Bioinformatics

Volumn 78, Issue 1, 2010, Pages 162-172

  Gil Redondo, Rubén ^a   Klett, Javier ^a   Gago, Federico ^b   Morreale, Antonio ^a  

^a CENTRO DE BIOLOGÍA MOLECULAR SEVERO OCHOA   (Spain)

^b UNIVERSITY OF ALCALÁ   (Spain)

Author keywords

3D QSAR; Comparative binding energy analysis; Drug design

Indexed keywords

PROTEINASE; LIGAND; P16 PROTEASE, HUMAN IMMUNODEFICIENCY VIRUS 1; PROTEIN;

ARTICLE; BINDING AFFINITY; CHEMOMETRICS; COMPARATIVE BINDING ENERGY ANALYSIS; DRUG DESIGN; ELECTRICITY; ENERGY TRANSFER; PRINCIPAL COMPONENT ANALYSIS; PRIORITY JOURNAL; PROTEIN DNA INTERACTION; PROTEIN PROTEIN INTERACTION; QUANTITATIVE STRUCTURE ACTIVITY RELATION; STATISTICS; VALIDATION PROCESS; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER PROGRAM; METABOLISM; PROTEIN BINDING; THERMODYNAMICS;

DRUG DESIGN; HIV PROTEASE; LIGANDS; MODELS, MOLECULAR; PROTEIN BINDING; PROTEINS; QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP; SOFTWARE; THERMODYNAMICS;

EID: 77949398877     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.22543     Document Type: Article

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