All-Atom Molecular Dynamics Simulations of Entire Virus Capsid Reveal the Role of Ion Distribution in Capsid’s Stability

Author:

Tarasova Elvira1,Farafonov Vladimir2ORCID,Khayat Reza3,Okimoto Noriaki4,Komatsu Teruhisa S.4,Taiji Makoto4,Nerukh Dmitry5ORCID

Affiliation:

1. Immanuel Kant Baltic Federal University, A. Nevskogo Street 14, Kaliningrad, 236041, Russian Federation

2. Department of Physical Chemistry, V.N. Karazin Kharkiv National University, Svobody Square 4, Kharkiv, 61022, Ukraine

3. Department of Chemistry and Biochemistry, City College of New York, New York, New York 10031, United States

4. Laboratory for Computational Molecular Design, Computational Biology Research Core, RIKEN Quantitative Biology Center (QBiC), QBiC Building B, 6-2-4 Furuedai, Suita, Osaka 565-0874, Japan

5. Systems Analytics Research Institute, Aston University, Birmingham, B4 7ET, United Kingdom

Funder

National Institute of Allergy and Infectious Diseases

Royal Society of Chemistry

Great Britain Sasakawa Foundation

Ministry of Education and Science of the Russian Federation

National Institute on Minority Health and Health Disparities

National Institute of General Medical Sciences

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

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