How to strike a conformational balance in protein force fields for molecular dynamics simulations?-Reference-Cited by-同舟云学术

How to strike a conformational balance in protein force fields for molecular dynamics simulations?

Published:2021-10-05 Issue: Volume: Page:
ISSN:1759-0876
Container-title:WIREs Computational Molecular Science
language:en
Short-container-title:WIREs Comput Mol Sci

Author:

Kang Wei¹^ORCID,Jiang Fan²^ORCID,Wu Yun‐Dong¹²³^ORCID

Affiliation:

1. Shenzhen Bay Laboratory Shenzhen China

2. Laboratory of Computational Chemistry and Drug Design, State Key Laboratory of Chemical Oncogenomics Peking University Shenzhen Graduate School Shenzhen China

3. College of Chemistry and Molecular Engineering Peking University Beijing China

Publisher

Wiley

Subject

Materials Chemistry,Computational Mathematics,Physical and Theoretical Chemistry,Computer Science Applications,Biochemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/wcms.1578

Reference279 articles.

1. Dynamics of folded proteins

2. Development of a Force Field for the Simulation of Single-Chain Proteins and Protein–Protein Complexes

3. Assessment of transferable forcefields for protein simulations attests improved description of disordered states and secondary structure propensities, and hints at multi-protein systems as the next challenge for optimization

4. Refinement of protein conformations using a macromolecular energy minimization procedure

5. Improved Treatment of the Protein Backbone in Empirical Force Fields

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