Milestoning: An Efficient Approach for Atomically Detailed Simulations of Kinetics in Biophysics
Abstract
Recent advances in theory and algorithms for atomically detailed simulations open the way to the study of the kinetics of a wide range of molecular processes in biophysics. The theories propose a shift from the traditionally very long molecular dynamic trajectories, which are exact but may not be efficient in the study of kinetics, to the use of a large number of short trajectories. The short trajectories exploit a mapping to a mesh in coarse...
Paper Details
Title
Milestoning: An Efficient Approach for Atomically Detailed Simulations of Kinetics in Biophysics
Published Date
May 6, 2020
Journal
Volume
49
Issue
1
Pages
69 - 85
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