Microsecond MD Simulation and Multiple-Conformation Virtual Screening to Identify Potential Anti-COVID-19 Inhibitors Against SARS-CoV-2 Main Protease

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SYSNO	0539587
Title	Microsecond MD Simulation and Multiple-Conformation Virtual Screening to Identify Potential Anti-COVID-19 Inhibitors Against SARS-CoV-2 Main Protease
Author(s)	Selvaraj, C. (IN) Panwar, U. (IN) Dinesh, Dhurvas Chandrasekaran (UOCHB-X) [260/26]_ORCID Bouřa, Evžen (UOCHB-X) [260/26]_ORCID Singh, P. (IN) Dubey, V. K. (IN) Singh, S. K. (IN)
Corespondence/senior	Selvaraj, C. - Korespondující autor Singh, S. K. - Korespondující autor
Source Title	Frontiers in Chemistry. Roč. 8, Jan 13 (2021). - : Frontiers Media
Article number	595273
Document Type	Článek v odborném periodiku
Grant	EF16_019/0000729 GA MŠMT - Ministry of Education, Youth and Sports (MEYS), CZ - Czech Republic
	L200551951, CZ - Czech Republic
Institutional support	UOCHB-X - RVO:61388963
Language	eng
Country	CH
Keywords	SARS-CoV-2 main protease * COVID-19 * TCM * natural products * molecular dynamics * ensemble sampling
URL	https://doi.org/10.3389/fchem.2020.595273
Permanent Link	http://hdl.handle.net/11104/0318116

Number of the records: 1