Adaptive-Partitioning QM/MM Dynamics Simulations: 3. Solvent Molecules Entering and Leaving Protein Binding Sites
Document Type
Article
Subject Area(s)
Engineering, Chemical Engineering, Computational Engineering, Other Chemical Engineering
Publication Info
Postprint version. Published in Journal of Chemical Theory and Computation, Volume 10, Issue 11, 2014, pages 4765-4776.
Rights
© Journal of Chemical Theory and Computation, 2014, ACS Publications.
Pezeshki, S., Davis, C., Heyden, A., Lin, H. (2014). Adaptive-Partitioning QM/MM Dynamics Simulations: 3. Solvent Molecules Entering and Leaving Protein Binding Sites. Journal of Chemical Theory and Computation, 10(11), 4765–4776.
http://dx.doi.org/10.1021/ct500553x
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