Concepedia

In-Silico approach for identification of effective and stable inhibitors for COVID-19 main protease (M<sup>pro</sup>) from flavonoid based phytochemical constituents of <i>Calendula officinalis</i>

Pratik Das, Ranabir Majumder, Mahitosh Mandal, Piyali Basak

Journal of Biomolecular Structure and Dynamics · 2020 · 109 citations · 30 references

Open access

Abstract

Communicated by Ramaswamy H. Sarma.

References

30

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

Veterinary Medicine, Infectious Diseases, Microbiology +13

Genomic characterisation and epidemiology of 2019 novel coronavirus: implications for virus origins and receptor binding

Roujian Lu, Xiang Zhao, Juan Li et al. · The Lancet · 2020 · 12.6K citations · Full text

Life Sciences, Infectious Diseases, Molecular Biology +14

GROMACS: A message-passing parallel molecular dynamics implementation

Herman J. C. Berendsen, David van der Spoel, Rudi van Drunen · Computer Physics Communications · 1995 · 10.5K citations

Natural Sciences, High-performance Computing, Physics +10

<i>g_mmpbsa</i>—A GROMACS Tool for High-Throughput MM-PBSA Calculations

Rashmi Kumari, Rajendra Kumar · Journal of Chemical Information and Modeling · 2014 · 4.8K citations

Natural Sciences, Chemistry, Medicinal Chemistry +17

Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

Zhenming Jin, Xiaoyu Du, Yechun Xu et al. · Nature · 2020 · 4.5K citations · Full text

Life Sciences, Medicinal Chemistry, Pharmacology +10