Molecular dynamics applied in drug discovery: The case of HIV-1 protease

Methods in Molecular Biology

Volumn 819, Issue , 2012, Pages 527-549

  Shang, Yi ^a   Simmerling, Carlos ^a  

^a STONY BROOK UNIVERSITY   (United States)

Author keywords

Equilibration; Explicit solvent; Force field; HIV 1 protease; Implicit solvent; Minimization; Molecular dynamics; Structure based drug design; Water density analysis

Indexed keywords

HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE; P16 PROTEASE, HUMAN IMMUNODEFICIENCY VIRUS 1; SOLVENT;

ARTICLE; CHEMISTRY; COMPUTER PROGRAM; DRUG DEVELOPMENT; ENZYMOLOGY; HUMAN IMMUNODEFICIENCY VIRUS 1; METHODOLOGY; MOLECULAR DYNAMICS;

DRUG DISCOVERY; HIV PROTEASE; HIV-1; MOLECULAR DYNAMICS SIMULATION; SOFTWARE; SOLVENTS;

HUMAN IMMUNODEFICIENCY VIRUS 1;

EID: 84855971874     PISSN: 10643745     EISSN: None     Source Type: Book Series    
DOI: 10.1007/978-1-61779-465-0_31     Document Type: Article

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