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Computational Investigation of Potential Inhibitors of Novel Coronavirus 2019 Through Structure-Based Virtual Screening, Molecular Dynamics and Density Functional Theory Studies

Shashank Shekhar Mishra,Shashi Ranjan,Chandra Shekhar Sharma,Hemendra Pratap Singh,Sourav Kalra,Neeraj Kumar

Journal of biomolecular structure and dynamics/Journal of biomolecular structure & dynamics（2020）

Cited 27|Views8
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Key words
COVID-19,molecular dynamics,virtual screening,synthetic feasibility,quantum mechanical calculations
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