Identification of HIV inhibitors guided by free energy perturbation calculations

Current Pharmaceutical Design

Volumn 18, Issue 9, 2012, Pages 1199-1216

  Acevedo, Orlando ^a   Ambrose, Zandrea ^b   Flaherty, Patrick T ^c   Aamer, Hadega ^b   Jain, Prashi ^c   Sambasivarao Somisetti, V ^a  

^a AUBURN UNIVERSITY   (United States)

^b UNIVERSITY OF PITTSBURGH SCHOOL OF MEDICINE   (United States)

^c DUQUESNE UNIVERSITY   (United States)

Author keywords

Computer aided drug design; Cyclophilin; Free energy perturbation; HIV; Inhibitor; Protease; Reverse transcriptase

Indexed keywords

CHEMOKINE RECEPTOR CCR5; CHEMOKINE RECEPTOR CXCR4; CYCLOPHILIN A; CYCLOPHILIN B; CYCLOSPORIN A; GAG PROTEIN; HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE INHIBITOR; HYDROXYETHYLENE ISOSTERE; MVT 101; NONNUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITOR; UNCLASSIFIED DRUG;

AMINO TERMINAL SEQUENCE; ARTICLE; BINDING AFFINITY; CALCULATION; CATALYSIS; CD4+ T LYMPHOCYTE; CELL LINE; CELL VIABILITY; COMPUTER AIDED DESIGN; CRYSTAL STRUCTURE; CYTOTOXICITY; ENDOPLASMIC RETICULUM; FREE ENERGY PERTURBATION; GENETIC ALGORITHM; HELA CELL; HIGHLY ACTIVE ANTIRETROVIRAL THERAPY; HUMAN; HUMAN IMMUNODEFICIENCY VIRUS 1 INFECTION; HYDROPHOBICITY; IC 50; ISOMERIZATION; MACROPHAGE; MOLECULAR DYNAMICS; MONTE CARLO METHOD; NONHUMAN; PRIORITY JOURNAL; PROCESS OPTIMIZATION; PROTON TRANSPORT; RNA INTERFERENCE; SIMULATION; STATISTICAL ANALYSIS; VIRUS CAPSID; VIRUS INFECTIVITY; VIRUS REPLICATION;

EID: 84857754623     PISSN: 13816128     EISSN: 18734286     Source Type: Journal    
DOI: 10.2174/138161212799436421     Document Type: Article

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