Probing the Binding Affinity by Jarzynski’s Nonequilibrium Binding Free Energy and Rupture Time-Reference-Cited by-同舟云学术

Probing the Binding Affinity by Jarzynski’s Nonequilibrium Binding Free Energy and Rupture Time

Published:2018-04-09 Issue:17 Volume:122 Page:4693-4699
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Truong Duc Toan¹²,Li Mai Suan¹³^ORCID

Affiliation:

1. Institute for Computational Sciences and Technology, SBI Building, Quang Trung Software City, Tan Chanh Hiep Ward, District 12, Ho Chi Minh City, Vietnam

2. Department of Theoretical Physics, Faculty of Physics and Engineering Physics, Ho Chi Minh University of Science, Vietnam National University, 227 Nguyen Van Cu, Dist. 5, Ho Chi Minh City, Vietnam

3. Institute of Physics, Polish Academy of Sciences, Al. Lotnikow 32/46, 02-668 Warsaw, Poland

Funder

Narodowe Centrum Nauki

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/acs.jpcb.8b02137

Reference49 articles.

1. AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

2. High‐Temperature Equation of State by a Perturbation Method. I. Nonpolar Gases