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Page 1
A Stochastic Solution to the Unbinned WHAM Equations.
Zhang BW, Xia J, Tan Z, Levy RM. Zhang BW, et al. J Phys Chem Lett. 2015 Oct 1;6(19):3834-40. doi: 10.1021/acs.jpclett.5b01771. Epub 2015 Sep 14. J Phys Chem Lett. 2015. PMID: 26722879 Free PMC article.
BEDAM binding free energy predictions for the SAMPL4 octa-acid host challenge.
Gallicchio E, Chen H, Chen H, Fitzgerald M, Gao Y, He P, Kalyanikar M, Kao C, Lu B, Niu Y, Pethe M, Zhu J, Levy RM. Gallicchio E, et al. J Comput Aided Mol Des. 2015 Apr;29(4):315-25. doi: 10.1007/s10822-014-9795-2. Epub 2015 Mar 1. J Comput Aided Mol Des. 2015. PMID: 25726024 Free PMC article.
42 results