SCOPUS 정보 검색 플랫폼

Journal of Computer-Aided Molecular Design

Volumn 25, Issue 10, 2011, Pages 959-976

Binding of novel fullerene inhibitors to HIV-1 protease: Insight through molecular dynamics and molecular mechanics Poisson-Boltzmann surface area calculations

(6) Tzoupis, Haralambos a,b Leonis, Georgios a Durdagi, Serdar c Mouchlis, Varnavas b Mavromoustakos, Thomas a,b Papadopoulos, Manthos G a

a INSTITUTE OF BIOLOGY (Greece)

b UNIVERSITY OF ATHENS (Greece)

c UNIVERSITY OF CALGARY (Canada)

Author keywords

Fullerenes; HIV 1 PR; MM PBSA; Molecular dynamics; QSAR

Indexed keywords

BINDING ENERGY; COMPUTATIONAL CHEMISTRY; FREE ENERGY; HYDROGEN BONDS; MOLECULAR DYNAMICS; MOLECULAR GRAPHICS; MOLECULAR MECHANICS;

AREA CALCULATION; BINDING FREE ENERGY; FULLERENE DERIVATIVE; HIV-1 PR; HIV-1 PROTEASE; MOLECULAR MECHANIC POISSON-BOLTZMANN SURFACE AREA; NOVEL FULLERENES; POISSON-BOLTZMANN; QSAR; SURFACE AREA;

FULLERENES;

AMPRENAVIR; DARUNAVIR; FULLERENE DERIVATIVE; INDINAVIR; LOPINAVIR; NELFINAVIR; PROTEINASE; RITONAVIR; SAQUINAVIR; TIPRANAVIR;

ANALYTIC METHOD; ANIMAL CELL; ARTICLE; CONTROLLED STUDY; DRUG ABSORPTION; DRUG BINDING; DRUG DESIGN; DRUG DETERMINATION; DRUG DISTRIBUTION; DRUG STRUCTURE; HUMAN IMMUNODEFICIENCY VIRUS 1; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR MECHANICS; NONHUMAN; POISSON BOLTZMANN SURFACE AREA; PRIORITY JOURNAL; PROTEIN BINDING;

EID: 84855196452 PISSN: 0920654X EISSN: 15734951 Source Type: Journal
DOI: 10.1007/s10822-011-9475-4 Document Type: Article

Times cited : (50)

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