Zooming across the Free-Energy Landscape: Shaving Barriers, and Flooding Valleys-Reference-Cited by-同舟云学术

Zooming across the Free-Energy Landscape: Shaving Barriers, and Flooding Valleys

Published:2018-08-03 Issue:16 Volume:9 Page:4738-4745
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Fu Haohao¹^ORCID,Zhang Hong¹^ORCID,Chen Haochuan¹^ORCID,Shao Xueguang¹²³^ORCID,Chipot Christophe⁴⁵⁶^ORCID,Cai Wensheng¹²^ORCID

Affiliation:

1. Research Center for Analytical Sciences, College of Chemistry, Tianjin Key Laboratory of Biosensing and Molecular Recognition, Nankai University, Tianjin 300071, China

2. Collaborative Innovation Center of Chemical Science and Engineering (Tianjin), Tianjin 300071, China

3. State Key Laboratory of Medicinal Chemical Biology, Tianjin 300071, China

4. Laboratoire International Associé CNRS and University of Illinois at Urbana−Champaign, Vandœuvre-lès-Nancy F-54506, France

5. LPCT, UMR 7019 Université de Lorraine CNRS, Vandœuvre-lès-Nancy F-54500, France

6. Department of Physics, University of Illinois at Urbana−Champaign, 1110 West Green Street, Urbana, Illinois 61801, United States

Funder

Natural Science Foundation of Tianjin City

Centre National de la Recherche Scientifique

Natural Science Foundation of Guangdong Province

National Natural Science Foundation of China

Central People's Government of the People's Republic of China

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.8b01994

Reference43 articles.

1. Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and Dynamics

2. Frontiers in free-energy calculations of biological systems

3. Enhanced sampling techniques in molecular dynamics simulations of biological systems

4. Generalized-ensemble algorithms: enhanced sampling techniques for Monte Carlo and molecular dynamics simulations

5. Free Energy Computations

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