Unrestrained Computation of Free Energy along a Path-Reference-Cited by-同舟云学术

Unrestrained Computation of Free Energy along a Path

Published:2012-08-30 Issue:36 Volume:116 Page:11046-11055
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Dickson Bradley M.¹,Huang He¹,Post Carol Beth¹

Affiliation:

1. Markey Center for Structural Biology, Department of Medicinal Chemistry, Purdue University, 240 S. Martin Jischke Drive, West Lafayette, Indiana 47907-1971, United States

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp304720m

Reference30 articles.

1. String method in collective variables: Minimum free energy paths and isocommittor surfaces

2. Finding Transition Pathways Using the String Method with Swarms of Trajectories

3. On-the-path random walk sampling for efficient optimization of minimum free-energy path

4. Maximum Flux Transition Paths of Conformational Change

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