An in-silico approach to identify the potential hot spots in SARS-CoV-2 spike RBD to block the interaction with ACE2 receptor-Reference-Cited by-同舟云学术

An in-silico approach to identify the potential hot spots in SARS-CoV-2 spike RBD to block the interaction with ACE2 receptor

Published:2021-03-09 Issue: Volume: Page:1-16
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Stalin Antony¹^ORCID,Lin Ding¹^ORCID,Senthamarai Kannan Balakrishnan²^ORCID,Feng Yue³^ORCID,Wang Yanjing⁴^ORCID,Zhao Wei¹,Ignacimuthu Savarimuthu⁵,Wei Dong-Qing⁴⁶^ORCID,Chen Yuan¹

Affiliation:

1. State Key Laboratory of Subtropical Silviculture, Department of Traditional Chinese Medicine, Zhejiang A&F University, Hangzhou, China

2. Department of Chemistry, Tirunelveli Dakshinamara Nadar Sangam (T D M N S) College, Tirunelveli, Tamil Nadu, India

3. College of Pharmaceutical Science, Zhejiang Chinese Medical University, Hangzhou, China

4. State Key Laboratory of Microbial Metabolism, Shanghai-Islamabad-Belgrade Joint Innovation Center on Antibacterial Resistances, Joint International Research Laboratory of Metabolic & Developmental Sciences and School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Shanghai, P.R. China

5. St. Xavier Research Foundation, St. Xavier’s College, Tirunelveli, Tamil Nadu, India

6. Peng Cheng Laboratory, Shenzhen, Guangdong, P.R China

Funder

Postdoctoral fund of Zhejiang Province

Opening Project of Zhejiang Provincial Preponderant and Characteristic Subject of Key University (Traditional Chinese Pharmacology), Zhejiang Chinese Medical University

National Science Foundation of China

Ministry of Science and Technology of China

Science and Technology Commission of Shanghai Municipality

SJTU JiRLMDS Joint Research Fund and Joint Research Funds for Medical and Engineering and Scientific Research at Shanghai Jiao Tong University

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2021.1897682

Reference69 articles.

1. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers