Supplemental material
Journal of Biomolecular Structure and Dynamics
Volume 39, 2021 - Issue 7
Research Articles
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
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Vivek Dhar Dwivedic Centre for Bioinformatics, Computational and Systems Biology, Pathfinder Research and Training Foundation, Greater Noida, Indiahttps://orcid.org/0000-0003-0767-1328
https://orcid.org/0000-0003-0767-1328, & Umesh Yadavab Department of Physics, Deen Dayal Upadhyay Gorakhpur University, Gorakhpur, IndiaCorrespondence[email protected] [email protected]
https://orcid.org/0000-0002-9127-532X
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