Force Field Benchmark of Amino Acids. 3. Hydration with Scaled Lennard-Jones Interactions-Reference-Cited by-同舟云学术

Force Field Benchmark of Amino Acids. 3. Hydration with Scaled Lennard-Jones Interactions

Published:2021-06-29 Issue:7 Volume:61 Page:3571-3582
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Qiu Yejie¹^ORCID,Shan Wenjie¹,Zhang Haiyang¹^ORCID

Affiliation:

1. Department of Biological Science and Engineering, School of Chemistry and Biological Engineering, University of Science and Technology Beijing, 100083 Beijing, China

Funder

National Natural Science Foundation of China

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.1c00339

Reference83 articles.

1. Biomolecular simulations: From dynamics and mechanisms to computational assays of biological activity

2. Biomolecular force fields: where have we been, where are we now, where do we need to go and how do we get there?

3. Fixed-Charge Atomistic Force Fields for Molecular Dynamics Simulations in the Condensed Phase: An Overview

4. ff19SB: Amino-Acid-Specific Protein Backbone Parameters Trained against Quantum Mechanics Energy Surfaces in Solution

5. ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB

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