Energy Landscape of All-Atom Protein-Protein Interactions Revealed by Multiscale Enhanced Sampling

Kei Moritsugu; Tohru Terada; Akinori Kidera

doi:10.1371/journal.pcbi.1003901

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Open Access

Peer-reviewed

Research Article

Energy Landscape of All-Atom Protein-Protein Interactions Revealed by Multiscale Enhanced Sampling

Kei Moritsugu ,

* E-mail: moritugu@tsurumi.yokohama-cu.ac.jp

Affiliations Computational Science Research Program, RIKEN, Hirosawa, Wako, Saitama, Japan, Graduate School of Medical Life Science, Yokohama City University, Suehiro-cho, Tsurumi-ku, Yokohama, Japan
⨯
Tohru Terada,

Affiliations Computational Science Research Program, RIKEN, Hirosawa, Wako, Saitama, Japan, Graduate School of Agricultural and Life Sciences, The University of Tokyo, Yayoi, Bunkyo-ku, Tokyo, Japan
⨯
Akinori Kidera

Affiliations Computational Science Research Program, RIKEN, Hirosawa, Wako, Saitama, Japan, Graduate School of Medical Life Science, Yokohama City University, Suehiro-cho, Tsurumi-ku, Yokohama, Japan
⨯

Energy Landscape of All-Atom Protein-Protein Interactions Revealed by Multiscale Enhanced Sampling

Kei Moritsugu,
Tohru Terada,
Akinori Kidera

Published: October 23, 2014
https://doi.org/10.1371/journal.pcbi.1003901

About the Authors

Kei Moritsugu

* E-mail: moritugu@tsurumi.yokohama-cu.ac.jp

Affiliations Computational Science Research Program, RIKEN, Hirosawa, Wako, Saitama, Japan, Graduate School of Medical Life Science, Yokohama City University, Suehiro-cho, Tsurumi-ku, Yokohama, Japan

Tohru Terada

Affiliations Computational Science Research Program, RIKEN, Hirosawa, Wako, Saitama, Japan, Graduate School of Agricultural and Life Sciences, The University of Tokyo, Yayoi, Bunkyo-ku, Tokyo, Japan

Akinori Kidera

Affiliations Computational Science Research Program, RIKEN, Hirosawa, Wako, Saitama, Japan, Graduate School of Medical Life Science, Yokohama City University, Suehiro-cho, Tsurumi-ku, Yokohama, Japan

Competing Interests

The authors have declared that no competing interests exist.

Author Contributions

Conceived and designed the experiments: KM TT AK. Performed the experiments: KM. Analyzed the data: KM. Wrote the paper: KM TT AK.

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Biochemical simulations
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Protein-protein interactions
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Crystal structure
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Protein folding
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Protein structure
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Free energy
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Protein complexes
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Simulation and modeling
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