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Digital Repository at Indian Institute of Science Education and Research Pune
Browsing by Subject Well-tempered metadynamics
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Showing results 1 to 1 of 1
Issue Date
Title
Author(s)
Jun-2021
Atomistic De-novo Inhibitor Generation-Guided Drug Repurposing for SARS-CoV-2 Spike Protein with Free Energy Validation by WellTempered Metadynamics
CHOWDHURY, RITUPARNO
;
ADURY, VENKATA SAI SREYAS
;
VIJAY, AMAL
;
SINGH, REMAN K.
;
MUKHERJEE, ARNAB
;
Dept. of Chemistry
