Structure-based screening and validation of bioactive compounds as Zika virus Methyltransferase(MTase) inhibitors through first-principle density functional theory, classical molecular simulation and QM/MM affinity estimation
Bharadwaj, Shiv, Rao, Akhilesh Kumar, Dwivedi, Vivek Dhar, Mishra, Sarad Kumar, Yadava, UmeshLanguage:
english
Journal:
Journal of Biomolecular Structure and Dynamics
DOI:
10.1080/07391102.2020.1747545
Date:
March, 2020
File:
PDF, 2.18 MB
english, 2020