Explicit solvent dynamics and energetics of HIV-1 protease flap opening and closing

Proteins: Structure, Function and Bioinformatics

Volumn 78, Issue 14, 2010, Pages 2873-2885

  Sadiq, S Kashif ^a   de Fabritiis, Gianni ^a  

^a Barcelona Biomedical Research Park   (Spain)

Author keywords

Conformational energetics; Conformational kinetics; Ensemble molecular dynamics; Flaps; HIV 1 protease

Indexed keywords

PROTEINASE;

ARTICLE; BETA SHEET; CONFORMATIONAL TRANSITION; DRUG DESIGN; ENERGY TRANSFER; HUMAN IMMUNODEFICIENCY VIRUS 1; MOLECULAR DYNAMICS; NONHUMAN; NUCLEAR MAGNETIC RESONANCE; PRIORITY JOURNAL; PROTEIN SECONDARY STRUCTURE; SIMULATION; WILD TYPE;

BINDING SITES; HIV PROTEASE; HUMANS; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, MOLECULAR; MOLECULAR DYNAMICS SIMULATION; PROTEIN CONFORMATION; SOLVENTS;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 77957948558     PISSN: 08873585     EISSN: 10970134     Source Type: Journal    
DOI: 10.1002/prot.22806     Document Type: Article

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