Toward Building Protein Force Fields by Residue-Based Systematic Molecular Fragmentation and Neural Network-Reference-Cited by-同舟云学术

Toward Building Protein Force Fields by Residue-Based Systematic Molecular Fragmentation and Neural Network

Published:2018-12-14 Issue:2 Volume:15 Page:1409-1417
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Wang Hao¹,Yang Weitao²³^ORCID

Affiliation:

1. Department of Chemistry, Duke University, Durham, North Carolina 27708, United States

2. Department of Chemistry and Department of Physics, Duke University, Durham, North Carolina 27708, United States

3. Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry and Environment, South China Normal University, Guangzhou 510006, China

Funder

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00895

Reference82 articles.

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3. Replica-exchange molecular dynamics method for protein folding

4. Describing Protein Folding Kinetics by Molecular Dynamics Simulations. 1. Theory

5. Calculation of absolute protein-ligand binding free energy from computer simulations

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