Concepedia

<i>In silico</i>identification of novel benzophenone–coumarin derivatives as SARS-CoV-2 RNA-dependent RNA polymerase (RdRp) inhibitors

Shashank M. Patil, Reshma Mary Martiz, Ramith Ramu, Prithvi S. Shirahatti, Ashwini Prakash, Jagadeep Chandra S, V. Lakshmi Ranganatha

Journal of Biomolecular Structure and Dynamics · 2021 · 38 citations · 42 references

DOI

Concepts

Abstract

experiments conducted.Communicated by Ramaswamy H. Sarma.

References

42

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

, , +17

GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

M Abraham, Teemu J. Murtola, Roland Schulz et al. · SoftwareX · 2015 · 26.8K citations · Full text

, , +11

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 25K citations · Full text

, , +13

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

Antoine Daina, Olivier Michielin, Vincent Zoete · Scientific Reports · 2017 · 17.1K citations · Full text

, , +16

A new coronavirus associated with human respiratory disease in China

Fan Wu, Zhao Su, Bin Yu et al. · Nature · 2020 · 12.9K citations · Full text

, , +13