AIE_COV2_binding

Published: 09-07-2020| Version 1 | DOI: 10.17632/zyb3y3fdc5.1
Contributors:
Karunakar Tanneeru,
Naveen B,
Rajesh S. Bhosale,
Suresh Kumar Kalangi

Description

This data is supporting data for the manuscript entitled "Assessing differential binding of aggregation induced emission-based luminogens to host interacting surface proteins of SARS-CoV-2 and influenza virus- an in silico approach". The PDB coordinates of TPE-P and TPE-S docked onto the SARS-COV2 spike proteins, and hemagglutinin protein of influenza virus, and the molecular dynamics simulations average structure of last 3 nano seconds of total 20 nano seconds coordinates files can hep in describing the binding molecules.

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