FMODB: The World’s First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method-Reference-Cited by-同舟云学术

FMODB: The World’s First Database of Quantum Mechanical Calculations for Biomacromolecules Based on the Fragment Molecular Orbital Method

Published:2021-01-29 Issue:2 Volume:61 Page:777-794
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Takaya Daisuke¹^ORCID,Watanabe Chiduru¹²^ORCID,Nagase Shunpei¹,Kamisaka Kikuko¹^ORCID,Okiyama Yoshio¹³^ORCID,Moriwaki Hirotomo¹^ORCID,Yuki Hitomi¹^ORCID,Sato Tomohiro¹^ORCID,Kurita Noriyuki⁴^ORCID,Yagi Yoichiro⁵,Takagi Tatsuya⁶^ORCID,Kawashita Norihito⁷^ORCID,Takaba Kenichiro⁸^ORCID,Ozawa Tomonaga⁹,Takimoto-Kamimura Midori¹⁰,Tanaka Shigenori¹¹^ORCID,Fukuzawa Kaori¹²¹³^ORCID,Honma Teruki¹^ORCID

Affiliation:

1. RIKEN Center for Biosystems Dynamics Research, 1-7-22 Suehiro-cho Tsurumi-ku, Yokohama, Kanagawa 230-0045, Japan

2. JST PRESTO, 4-1-8, Honcho, Kawaguchi, Saitama 332-0012, Japan

3. Division of Medicinal Safety Science, National Institute of Health Sciences, 3-25-26 Tonomachi, Kawasaki-ku, Kawasaki, Kanagawa 210-9501, Japan

4. Department of Computer Science and Engineering, Toyohashi University of Technology, 1-1 Hibarigaoka Tempaku-cho, Toyohashi, Aichi 441-8580, Japan

5. Graduate School of Engineering, Okayama University of Science, Okayama, 1-1 Ridai-cho, Okayama 700-0005, Japan

6. Graduate School of Pharmaceutical Sciences, Osaka University, 1-6 Yamadaoka, Suita, Osaka 565-0871, Japan

7. Faculty of Science and Engineering, Kindai University, 3-4-1 Kowakae, Higashiosaka, Osaka 577-8502, Japan

8. Pharmaceutical Research Center, Laboratory for Medicinal Chemistry, Asahi Kasei Pharma Corporation, 632-1 Mifuku, Izunokuni, Shizuoka 410-2321, Japan

9. Kissei Pharmaceutical Co., LTD., Frontier Technology Research Lab., Research Div. 4365-1 Hotaka Kashiwabara, Azumino, Nagano 399-8304, Japan

10. Teijin Institute for Biomedical Research, Teijin Pharma Ltd., 4-3-2 Asahigaoka, Hino, Tokyo 191-8512, Japan

11. Graduate School of System Informatics, Department of Computational Science, Kobe University, 1-1 Rokkodai, Kobe, Hyogo 657-8501, Japan

12. School of Pharmacy and Pharmaceutical Sciences, Hoshi University, 2-4-41 Ebara, Shinagawa, Tokyo 142-8501, Japan

13. Department of Biomolecular Engineering, Graduate School of Engineering, Tohoku University, 6-6-11 Aoba, Aramaki, Sendai, Miyagi 980-8579, Japan

Funder

Precursory Research for Embryonic Science and Technology

Japan Agency for Medical Research and Development

Japan Society for the Promotion of Science

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.0c01062

Reference94 articles.

1. A Medicinal Chemist’s Guide to Molecular Interactions

2. CH–π hydrogen bonds in biological macromolecules

3. A Survey of the Role of Noncovalent Sulfur Interactions in Drug Design

4. Computer Modeling of Halogen Bonds and Other σ-Hole Interactions

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