Maximum Likelihood Calibration of the UNRES Force Field for Simulation of Protein Structure and Dynamics-Reference-Cited by-同舟云学术

Maximum Likelihood Calibration of the UNRES Force Field for Simulation of Protein Structure and Dynamics

Published:2017-09-05 Issue:9 Volume:57 Page:2364-2377
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Krupa Paweł¹²³,Hałabis Anna⁴,Żmudzińska Wioletta⁴,Ołdziej Stanisław⁴,Scheraga Harold A.²,Liwo Adam¹⁵^ORCID

Affiliation:

1. Faculty of Chemistry, University of Gdańsk, ul. Wita Stwosza 63, 80-308 Gdańsk, Poland

2. Baker Laboratory of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853-1301, United States

3. Institute of Physics, Polish Academy of Sciences, Aleja Lotników 32/46, PL-02668 Warsaw, Poland

4. Laboratory of Biopolymer Structure, Intercollegiate Faculty of Biotechnology, University of Gdańsk and Medical University of Gdańsk, Abrahama 58, 80-307 Gdańsk, Poland

5. School of Computational Sciences, Korea Institute for Advanced Study, 85 Hoegiro, Dongdaemun-gu, Seoul 130-722, Republic of Korea

Funder

Division of Molecular and Cellular Biosciences

Narodowe Centrum Nauki

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.7b00254

Reference86 articles.

1. Empirical force fields for biological macromolecules: Overview and issues

2. Anton, a special-purpose machine for molecular dynamics simulation

3. Assessing the accuracy of physical models used in protein-folding simulations: quantitative evidence from long molecular dynamics simulations

4. Protein modeling and structure prediction with a reduced representation.

5. Reduced models of proteins and their applications

Cited by 40 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. Integrating Explicit and Implicit Fullerene Models into UNRES Force Field for Protein Interaction Studies;Molecules;2024-04-23

2. Free-Docking and Template-Based Docking: Physics Versus Knowledge-Based Docking;Methods in Molecular Biology;2024

3. Toward Consistent Physics-Based Modeling of Local Backbone Structures and Chirality Change of Proteins in Coarse-Grained Approaches;The Journal of Physical Chemistry Letters;2023-10-27

4. Investigating the Hydrogen Bond-Induced Self-Assembly of Polysulfamides Using Molecular Simulations and Experiments;Macromolecules;2023-06-28

5. Simple and Effective Conformational Sampling Strategy for Intrinsically Disordered Proteins Using the UNRES Web Server;The Journal of Physical Chemistry B;2023-02-24