Numeric analysis of reversibility of classic movement equations and constructive criteria of estimating quality of molecular dynamic simulations-Reference-Cited by-同舟云学术

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Numeric analysis of reversibility of classic movement equations and constructive criteria of estimating quality of molecular dynamic simulations

Published:2020-06-11 Issue:11 Volume:39 Page:4066-4076
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Torshin Ivan Yu.¹^ORCID,Namiot Vladimir A.²,Esipova Natalia G.³,Tumanyan Vladimir G.³

Affiliation:

1. Dorodnicyn Computing Centre, Russian Academy of Sciences, FIC IU RAS, Moscow, Russian Federation

2. Institute of Nuclear Physics, Lomonosov Moscow State University, Moscow, Russian Federation

3. Engelhardt Institute of Molecular Biology, Russian Academy of Sciences, Moscow, Russian Federation

Funder

Russian Foundation for Basic Research

Russian Academy of Sciences

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1773927

Reference30 articles.

1. Short protein segments with prevalent conformation

2. The structural and physicochemical characteristics of conformationally stable α-helical oligopeptides

3. Some multistep methods for use in molecular dynamics calculations

4. Proton leakage across lipid bilayers: Oxygen atoms of phospholipid ester linkers align water molecules into transmembrane water wires

5. Steered molecular dynamics for studying ligand unbinding of ecdysone receptor

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