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Efficient Computation of Small-Molecule Configurational Binding Entropy and Free Energy Changes by Ensemble Enumeration
Silver, Nathaniel W., King, Bracken M., Nalam, Madhavi N. L., Cao, Hong, Ali, Akbar, Kiran Kumar Reddy, G. S., Rana, Tariq M., Schiffer, Celia A., Tidor, BruceVolume:
9
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct400383v
Date:
November, 2013
File:
PDF, 3.24 MB
english, 2013