Efficient Conformational Sampling of Collective Motions of Proteins with Principal Component Analysis-Based Parallel Cascade Selection Molecular Dynamics-Reference-Cited by-同舟云学术

Efficient Conformational Sampling of Collective Motions of Proteins with Principal Component Analysis-Based Parallel Cascade Selection Molecular Dynamics

Published:2020-08-13 Issue:8 Volume:60 Page:4021-4029
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Yasuda Takunori¹,Shigeta Yasuteru²^ORCID,Harada Ryuhei²^ORCID

Affiliation:

1. College of Biological Sciences, University of Tsukuba, 1-1-1, Tennodai, Tsukuba, Ibaraki 305-0821, Japan

2. Center for Computational Sciences, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8577, Japan

Funder

University of Tsukuba

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.0c00580

Reference52 articles.

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

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4. How Fast-Folding Proteins Fold

5. Atomic-level description of ubiquitin folding

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