Free energy perturbation studies on binding of A-74704 and its diester analog to HIV-1 protease

Protein Engineering

Volumn 9, Issue 9, 1996, Pages 767-771

  Rao, B G ^a   Murcko, M A ^a  

^a VERTEX PHARMACEUTICALS   (United States)

Author keywords

AMBER; HIV 1 protease inhibitors; Hydrogen bonding; Molecular dynamics; Solvation

Indexed keywords

A 74704; ESTER DERIVATIVE; PROTEINASE; PROTEINASE INHIBITOR;

ARTICLE; COMPUTER SIMULATION; ENZYME ACTIVE SITE; ENZYME INHIBITOR INTERACTION; HUMAN IMMUNODEFICIENCY VIRUS 1; HYDROGEN BOND; MOLECULAR DYNAMICS; NONHUMAN; PRIORITY JOURNAL;

EID: 0029844655     PISSN: 02692139     EISSN: None     Source Type: Journal    
DOI: 10.1093/protein/9.9.767     Document Type: Article

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