Importance of polar solvation and configurational entropy for design of antiretroviral drugs targeting HIV-1 protease

Journal of Physical Chemistry B

Volumn 117, Issue 19, 2013, Pages 5793-5805

  Kar, Parimal ^a,b   Lipowsky, Reinhard ^a   Knecht, Volker ^a,c  

^a MAX PLANCK INSTITUTE OF COLLOIDS AND INTERFACES   (Germany)

^b Michigan State University   (United States)

^c UNIVERSITY OF FREIBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

DRUG THERAPY; ENTROPY; FREE ENERGY; SOLVATION; VAN DER WAALS FORCES;

ANTIRETROVIRAL DRUGS; BINDING FREE ENERGY; CONFIGURATIONAL ENTROPY; POISSON BOLTZMANN SURFACE AREAS (PBSA); RELATIVE BINDING AFFINITY; SOLVATION FREE ENERGIES; STRUCTURAL INSPECTIONS; VAN DER WAALS INTERACTIONS;

BINDING ENERGY;

EID: 84878052306     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp3085292     Document Type: Article

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