Docking and MM study of non-structural protein (NS5) of Japanese Encephalitis Virus (JEV) with some derivatives of adenosyl

Docking and MM study of non-structural protein (NS5) of Japanese Encephalitis Virus (JEV) with some derivatives of adenosyl

Introduction: The flavivirus NS5, a non-structural protein of Japanese Encephalitis Virus (JEV), a serious deadly human pathogen responsible for epidemics in South East Asia, consists of N-terminal methyl transferase (MTase) domain and RNA-dependent RNA polymerase (RdRp) is known for unique viral ge...

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Bibliographic Details
Main Authors: Rakesh Kumar Tiwari, Vinayak Pandey, Harshita Srivastava, Ambrish Kumar Srivastava, Vishnudatt Pandey
Format: Article
Language:English
Published: Frontiers Media S.A. 2023-11-01
Series:Frontiers in Chemistry
Subjects:
QM/MM
MD simulation
QM/MM-GBSA
JEV
S-adenosyl
binding energy
Online Access:https://www.frontiersin.org/articles/10.3389/fchem.2023.1258764/full

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