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Hierarchical Markov State Model Building to Describe Molecular Processes.
Wolfe DK, Persichetti JR, Sharma AK, Hudson PS, Woodcock HL, O'Brien EP. Wolfe DK, et al. Among authors: hudson ps. J Chem Theory Comput. 2020 Mar 10;16(3):1816-1826. doi: 10.1021/acs.jctc.9b00955. Epub 2020 Feb 17. J Chem Theory Comput. 2020. PMID: 32011146 Free PMC article.
Use of Interaction Energies in QM/MM Free Energy Simulations.
Hudson PS, Woodcock HL, Boresch S. Hudson PS, et al. J Chem Theory Comput. 2019 Aug 13;15(8):4632-4645. doi: 10.1021/acs.jctc.9b00084. Epub 2019 Jul 2. J Chem Theory Comput. 2019. PMID: 31142113 Free PMC article.
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