Estimation of the binding affinities of FKBP12 inhibitors using a linear response method

Bioorganic and Medicinal Chemistry

Volumn 7, Issue 5, 1999, Pages 851-860

  Lamb, Michelle L ^a,b   Tirado Rives, Julian ^a   Jorgensen, William L ^a  

^a YALE UNIVERSITY   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

FKBP12; Linear response; Monte Carlo; Rotamase inhibitors

Indexed keywords

FK 506 BINDING PROTEIN; PROTEIN INHIBITOR; TACROLIMUS;

ARTICLE; BINDING AFFINITY; CALCULATION; COMPUTER SIMULATION; CONFORMATION; DRUG STRUCTURE; LINEAR SYSTEM; PROTEIN STRUCTURE; SYSTEM ANALYSIS;

BINDING, COMPETITIVE; COMPUTER SIMULATION; IMMUNOPHILINS; KINETICS; MODELS, MOLECULAR; MODELS, STATISTICAL; MONTE CARLO METHOD; TACROLIMUS BINDING PROTEINS; THERMODYNAMICS;

EID: 0033135425     PISSN: 09680896     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0968-0896(99)00015-2     Document Type: Article

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