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Page 1
Integrated Modeling Program, Applied Chemical Theory (IMPACT).
Banks JL, Beard HS, Cao Y, Cho AE, Damm W, Farid R, Felts AK, Halgren TA, Mainz DT, Maple JR, Murphy R, Philipp DM, Repasky MP, Zhang LY, Berne BJ, Friesner RA, Gallicchio E, Levy RM. Banks JL, et al. J Comput Chem. 2005 Dec;26(16):1752-80. doi: 10.1002/jcc.20292. J Comput Chem. 2005. PMID: 16211539 Free PMC article. Review.
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.
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.
42 results