SCOPUS 정보 검색 플랫폼

Journal of Computer-Aided Molecular Design

Volumn 15, Issue 2, 2001, Pages 145-156

Does a diol cyclic urea inhibitor of HIV-1 protease bind tighter than its corresponding alcohol form? A study by free energy perturbation and continuum electrostatics calculations

(6) Wang, L a Duan, Y a Stouten, P b De Lucca, G V b Klabe, R M b Kollman, P A a

a UNIVERSITY OF CALIFORNIA (United States)

b DUPONT COMPANY (United States)

Author keywords

Continuum electrostatics; Cyclic urea inhibitor; DMP323; Free energy perturbation; HIV 1 protease; Hydroxyl group; PKa

Indexed keywords

AMINO ACIDS; BINDING ENERGY; DISSOCIATION; ELECTROSTATICS; FREE ENERGY; METABOLISM; UREA;

BINDING AFFINITIES; CONTINUUM ELECTROSTATIC; CYCLIC UREA INHIBITOR; CYCLIC UREAS; DMP323; ELECTROSTATIC CALCULATIONS; FREE ENERGY PERTURBATION; HIV-1 PROTEASE; HYDROXYL GROUPS; PKA;

SOLUBILITY;

4,7 DIBENZYL 2,3,4,5,6,7 HEXAHYDRO 5,6 DIHYDROXY 1,3 BIS[4 (HYDROXYMETHYL)BENZYL] 2H 1,3 DIAZEPIN 2 ONE; ALCOHOL; HYDROXYL GROUP; ISOPROTEIN; PROTEINASE; PROTEINASE INHIBITOR; UREA;

ACCURACY; ARTICLE; BINDING AFFINITY; CALCULATION; CATALYSIS; COMPUTER MODEL; CONTROLLED STUDY; ELECTRICITY; ENERGY; ENZYME ACTIVE SITE; HUMAN IMMUNODEFICIENCY VIRUS 1; PRIORITY JOURNAL; PROTON TRANSPORT; SOLUBILITY;

EID: 0035142397 PISSN: 0920654X EISSN: None Source Type: Journal
DOI: 10.1023/A:1008156222963 Document Type: Article

Times cited : (12)

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