Milestoning without a Reaction Coordinate-Reference-Cited by-同舟云学术

Milestoning without a Reaction Coordinate

Published:2010-05-06 Issue:6 Volume:6 Page:1805-1817
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Májek Peter¹,Elber Ron¹

Affiliation:

1. Department of Computer Science, Upson Hall 4130, Cornell University, Ithaca, New York 14853-7501, and Department of Chemistry and Biochemistry, Institute for Computational Engineering and Sciences, 1 University Station, ICES, C0200, The University of Texas, Austin, Texas 78712

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct100114j

Reference31 articles.

1. Extending molecular dynamics time scales with milestoning: Example of complex kinetics in a solvated peptide

2. Efficient computation of the first passage time distribution of the generalized master equation by steady-state relaxation

3. Computing time scales from reaction coordinates by milestoning

4. On the assumptions underlying milestoning

5. A Milestoning Study of the Kinetics of an Allosteric Transition: Atomically Detailed Simulations of Deoxy Scapharca Hemoglobin

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