On the detection of multiple-binding modes of ligands to proteins, from biological, structural, and modeling data

Journal of Computer-Aided Molecular Design

Volumn 17, Issue 2-4, 2003, Pages 129-134

  Lewis, Paul J ^a   de Jonge, Marc ^a   Daeyaert, Frits ^a   Koymans, Luc ^a   Vinkers, Maarten ^a   Heeres, Jan ^a   Janssen, Paul A J ^a   Arnold, Eddy ^b   Das, Kalyan ^b   Clark, Art D ^b   Hughes, Stephen H ^c   Boyer, Paul L ^c   de Béthune, Marie Pierre ^d   Pauwels, Rudi ^d   Andries, Koen ^e   Kukla, Mike ^f   Ludovici, Donald ^f   De Corte, Bart ^f   Kavash, Robert ^f   Ho, Chih ^f  

^a JANSSEN RESEARCH FOUNDATION   (Belgium)

^b RUTGERS UNIVERSITY   (United States)

^c NATIONAL CANCER INSTITUTE   (United States)

^d Virco BVBA   (Belgium)

^e JANSSEN RESEARCH AND DEVELOPMENT   (Belgium)

^f J and JPRD   (United States)

Author keywords

Drug design; HIV; Molecular modeling; PLS; Statistical analysis; Virology; X ray crystallography

Indexed keywords

AVAILABILITY; BINDING ENERGY; LIGANDS; PROTEINS; SELF ASSEMBLY;

BINDING MODES; BINDING-SITES; BIOLOGICAL DATA; BIOLOGICAL MODELS; DRUG DESIGN; HIV; MODELING DATA; PLS; STRUCTURAL DATA; VIROLOGY;

X RAY CRYSTALLOGRAPHY;

ANTIVIRUS AGENT; DAPIVIRINE; NEVIRAPINE; NEW DRUG; OSELTAMIVIR; PYRIMIDINE DERIVATIVE; R 106168; RNA DIRECTED DNA POLYMERASE; RNA DIRECTED DNA POLYMERASE INHIBITOR; SIALIDASE INHIBITOR; TRIAZINE DERIVATIVE; UNCLASSIFIED DRUG; ZANAMIVIR;

ARTICLE; BINDING SITE; DRUG ACTIVITY; DRUG BIOAVAILABILITY; DRUG DESIGN; DRUG EXCRETION; DRUG POTENCY; DRUG PROTEIN BINDING; DRUG STRUCTURE; HUMAN; HUMAN IMMUNODEFICIENCY VIRUS 1; HUMAN IMMUNODEFICIENCY VIRUS INFECTION; LIGAND BINDING; LIPOPHILICITY; MOLECULAR MODEL; NONHUMAN; PRIORITY JOURNAL; PROTEIN STRUCTURE; URINARY EXCRETION; X RAY CRYSTALLOGRAPHY;

EID: 10744233372     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1025313705564     Document Type: Article

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