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Lane W. Votapka, Rommie E. Amaro. Multiscale Estimation of Binding Kinetics Using Brownian Dynamics, Molecular Dynamics and Milestoning. PLoS Computational Biology, 11(10), 2015. [doi]
Possibly Related PublicationsThe following publications are possibly variants of this publication: SEEKR2: Versatile Multiscale Milestoning Utilizing the OpenMM Molecular Dynamics EngineLane W. Votapka, Andrew M. Stokely, Anupam A. Ojha, Rommie E. Amaro. jcisd, 62(13):3253-3262, 2022. [doi] Ranking of Ligand Binding Kinetics Using a Weighted Ensemble Approach and Comparison with a Multiscale Milestoning ApproachSurl-Hee Ahn, Benjamin R. Jagger, Rommie E. Amaro. jcisd, 60(11):5340-5352, 2020. [doi]
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