Special Features of COVID-19 in the FMODB: Fragment Molecular Orbital Calculations and Interaction Energy Analysis of SARS-CoV-2-Related Proteins-Reference-Cited by-同舟云学术

Special Features of COVID-19 in the FMODB: Fragment Molecular Orbital Calculations and Interaction Energy Analysis of SARS-CoV-2-Related Proteins

Published:2021-09-10 Issue:9 Volume:61 Page:4594-4612
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Fukuzawa Kaori¹²^ORCID,Kato Koichiro³⁴^ORCID,Watanabe Chiduru⁵⁶^ORCID,Kawashima Yusuke¹^ORCID,Handa Yuma¹^ORCID,Yamamoto Ami¹,Watanabe Kazuki⁷⁸^ORCID,Ohyama Tatsuya⁵⁹^ORCID,Kamisaka Kikuko⁵^ORCID,Takaya Daisuke⁵^ORCID,Honma Teruki⁵^ORCID

Affiliation:

1. Department of Physical Chemistry, School of Pharmacy and Pharmaceutical Sciences, Hoshi University, 2-4-41 Ebara, Shinagawa-ku, Tokyo 142-8501, Japan

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

3. Department of Applied Chemistry, Graduate School of Engineering, Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan

4. Center for Molecular Systems (CMS), Kyushu University, 744 Motooka, Nishi-ku, Fukuoka 819-0395, Japan

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

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

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

8. Graduate School of Pharmaceutical Sciences, Chiba University, 1-8-1 Inohana, Chuo-ku, Chiba 260-8675, Japan

9. Frontier Institute for Biomolecular Engineering Research (FIBER), Konan University, 7-1-20, Minatojima-minamimachi, Chuo-ku, Kobe 650-0047, Japan

Funder

RIKEN

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.1c00694

Reference87 articles.

1. WHO Coronavirus Disease (COVID-19) Situation Reports. https://www.who.int/emergencies/diseases/novel-coronavirus-2019/situation-reports/ (accessed June 8, 2021).

2. Protein Data Bank: the single global archive for 3D macromolecular structure data

3. The impact of structural bioinformatics tools and resources on SARS-CoV-2 research and therapeutic strategies

4. Protein Data Bank Japan (PDBj): updated user interfaces, resource description framework, analysis tools for large structures

5. New tools and functions in data-out activities at Protein Data Bank Japan (PDBj)

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