Revisiting and Computing Reaction Coordinates with Directional Milestoning-Reference-Cited by-同舟云学术

Revisiting and Computing Reaction Coordinates with Directional Milestoning

Published:2011-04-18 Issue:23 Volume:115 Page:6137-6148
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Kirmizialtin Serdal¹,Elber Ron¹

Affiliation:

1. Department of Chemistry and Biochemistry, Institute for Computational Engineering and Sciences, University of Texas at Austin, Austin, Texas 78712, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp111093c

Reference56 articles.

1. TRANSITION PATH SAMPLING: Throwing Ropes Over Rough Mountain Passes, in the Dark

2. Calculation of Point-to-Point Short-Time and Rare Trajectories with Boundary Value Formulation

3. Stochastic Path Approach to Compute Atomically Detailed Trajectories: Application to the Folding of C Peptide

4. Calculation of classical trajectories with a very large time step: Formalism and numerical examples

5. Atomic-Level Characterization of the Structural Dynamics of Proteins

Cited by 69 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Comprehensive Approach to Simulating Large Scale Conformational Changes in Biological Systems Utilizing a Path Collective Variable and New Barrier Restraint;The Journal of Physical Chemistry B;2023-06-06

2. Comprehensive Approach to Simulating Large Scale Conformational Changes in Biological Systems Utilizing a Path Collective Variable and New Barrier Restraint;2023-03-27

3. Wide-parameter coarse-grained state mechanism analysis in the methane combustion system;Reaction Chemistry & Engineering;2023

4. Free-Energy Profiles for Membrane Permeation of Compounds Calculated Using Rare-Event Sampling Methods;Journal of Chemical Information and Modeling;2022-12-27

5. Exact reaction coordinates for flap opening in HIV-1 protease;Proceedings of the National Academy of Sciences;2022-12-02