SCOPUS 정보 검색 플랫폼

Volumn 131, Issue 2, 2012, Pages 1-10

Use of quantum mechanics/molecular mechanics-based FEP method for calculating relative binding affinities of FBPase inhibitors for type-2 diabetes

(5) Rathore, R S a Reddy, R Nageswara b Kondapi, A K a Reddanna, P a Reddy, M Rami a,c

a UNIVERSITY OF HYDERABAD (India)

b Rational Labs (P) Limited (India)

c RR Labs Inc (United States)

Author keywords

Free energy perturbation; Fructose 1,6 bisphosphatase (FBPase); Molecular mechanics; QM MM based FEP method; Quantum mechanics

Indexed keywords

EID: 84856583630 PISSN: 1432881X EISSN: None Source Type: Journal
DOI: 10.1007/s00214-012-1096-z Document Type: Article

Times cited : (15)

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