How Good is Jarzynski’s Equality for Computer-Aided Drug Design?-Reference-Cited by-同舟云学术

How Good is Jarzynski’s Equality for Computer-Aided Drug Design?

Published:2020-06-02 Issue:26 Volume:124 Page:5338-5349
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Ho Kiet¹,Truong Duc Toan¹²,Li Mai Suan³^ORCID

Affiliation:

1. Institute for Computational Sciences and Technology, Quang Trung Software City, SBI Building, 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, 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

Department of Science and Technology, Ho Chi Minh City

Publisher

American Chemical Society (ACS)

Subject

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

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.0c02009

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4. Rapid, Accurate, Precise, and Reliable Relative Free Energy Prediction Using Ensemble Based Thermodynamic Integration

5. Free energy calculation using molecular dynamics simulation combined with the three dimensional reference interaction site model theory. I. Free energy perturbation and thermodynamic integration along a coupling parameter

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