Hydrogen bond donors and acceptors are generally depolarized in α‐helices as revealed by a molecular tailoring approach-Reference-Cited by-同舟云学术

Hydrogen bond donors and acceptors are generally depolarized in α‐helices as revealed by a molecular tailoring approach

Published:2019-05-17 Issue:23 Volume:40 Page:2043-2052
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Kondo Hiroko X.¹^ORCID,Kusaka Ayumi²,Kitakawa Colin K.³,Onari Jinta³,Yamanaka Shusuke³,Nakamura Haruki²^ORCID,Takano Yu²⁴^ORCID

Affiliation:

1. School of Regional Innovation and Social Design Engineering Faculty of Engineering, Kitami Institute of Technology, 165 Koen‐cho Kitami Hokkaido 090‐8507 Japan

2. Institute for Protein Research Osaka University, 3‐2 Yamadaoka Suita Osaka 565‐0871 Japan

3. Graduate School of Science Osaka University, 1‐1 Machikaneyamacho Toyonaka Osaka 560‐0043 Japan

4. Graduate School of Information Sciences Hiroshima City University, 3‐4‐1 Ozuka‐Higashi Asa‐Minami‐Ku Hiroshima 731‐3194 Japan

Funder

Core Research for Evolutional Science and Technology

Japan Society for the Promotion of Science

Ministry of Education, Culture, Sports, Science and Technology

Osaka University

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.25859

Reference36 articles.

1. Are Current Molecular Dynamics Force Fields too Helical?

2. Optimized Molecular Dynamics Force Fields Applied to the Helix−Coil Transition of Polypeptides

3. How Robust Are Protein Folding Simulations with Respect to Force Field Parameterization?

4. A Free-Energy Landscape for Coupled Folding and Binding of an Intrinsically Disordered Protein in Explicit Solvent from Detailed All-Atom Computations

5. Intrinsically Disordered Energy Landscapes

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