Article
Study of Tamiflu sensitivity to variants of A/H5N1 virus using different force fields.
Journal of chemical information and modeling - 26 Sept 2011
Nguyen Trang Truc, Mai Binh Khanh, Li Mai Suan
Abstract excerpt
An accurate estimation of binding free energy of a ligand to receptor ΔG(bind) is one of the most important problems in drug design. The success of solution of this problem is expected to depend on force fields used for modeling a ligand-receptor complex. In this paper, we consider the impact of...
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