Use of quantum mechanics/molecular mechanics-based FEP...

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) 2012 / 02 Vol. 131; Iss. 2

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

R. S. Rathore, R. Nageswara Reddy, A. K. Kondapi, P. Reddanna, M. Rami Reddy
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Volume:
131
Language:
english
DOI:
10.1007/s00214-012-1096-z
Date:
February, 2012
File:
PDF, 721 KB
english, 2012
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