A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. 2. The relationship between alignment solutions obtained from conformationally rigid and flexible matching

Journal of Computer-Aided Molecular Design

Volumn 14, Issue 1, 2000, Pages 39-51

  Mestres, Jordi ^a,b   Rohrer, Douglas C ^a   Maggiora, Gerald M ^a  

^a Pharmacia and Upjohn Inc ^*  (United States)

^b NV ORGANON   (Netherlands)

Author keywords

Flexible conformations; Molecular alignments; Molecular field similarity; Non nucleoside HIV 1 reverse transcriptase inhibitors

Indexed keywords

ALIGNMENT; BIOMOLECULES; CONFORMATIONS; CRYSTAL ATOMIC STRUCTURE; MOLECULAR ORIENTATION;

CONFORMATIONAL RIGIDITY; FLEXIBLE CONFORMATION; FLEXIBLE MATCHING; HIV-1 REVERSE TRANSCRIPTASE; MATCHINGS; MOLECULAR FIELDS; MOLECULAR-FIELD SIMILARITY; NON-NUCLEOSIDE HIV-1 REVERSE TRANSCRIPTASE INHIBITOR; RIGID CONFORMERS; RIGID MATCHING;

CRYSTAL ORIENTATION;

LIGAND; RNA DIRECTED DNA POLYMERASE INHIBITOR;

ANALYTIC METHOD; ARTICLE; CHEMICAL STRUCTURE; COMPUTER AIDED DESIGN; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; DRUG STRUCTURE; HUMAN IMMUNODEFICIENCY VIRUS 1; MOLECULAR INTERACTION; PRIORITY JOURNAL; STRUCTURE ANALYSIS;

EID: 0033965404     PISSN: 0920654X     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008168228728     Document Type: Article

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