A fast estimate of electrostatic group contributions to the free energy of protein-inhibitor binding

Protein Engineering

Volumn 10, Issue 12, 1997, Pages 1363-1372

  Muegge, Ingo ^a,b   Tao, Holly ^a   Warshel, Arieh ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^b ABBOTT LABORATORIES   (United States)

Author keywords

Drug resistance; Electrostatic fingerprint; Endothiapepsin; Group contributions; Inhibitor binding

Indexed keywords

ASPARTIC ACID; ENDOTHIAPEPSIN; GLYCINE; MUTANT PROTEIN; PEPSTATIN; PROTEIN; PROTEIN INHIBITOR;

AMINO ACID SUBSTITUTION; ARTICLE; BINDING SITE; CONTROLLED STUDY; ELECTRICITY; ENZYME INHIBITOR COMPLEX; PRIORITY JOURNAL; PROTEIN BINDING; PROTEIN STRUCTURE; STRUCTURE ACTIVITY RELATION;

EID: 0031404601     PISSN: 02692139     EISSN: None     Source Type: Journal    
DOI: 10.1093/protein/10.12.1363     Document Type: Article

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