Mahender Kumar Singh

HaptenDB: a comprehensive database of haptens, carrier proteins and anti-hapten antibodies

Mahender Kumar Singh, Shilpy Srivastava, Gajendra P. S. Raghava et al. · Bioinformatics · 2006 · 39 citations · Full text

Novel insights into the dynamics behavior of glucagon-like peptide-1 receptor with its small molecule agonists

Khyati Girdhar, Budheswar Dehury, Mahender Kumar Singh et al. · Journal of Biomolecular Structure and Dynamics · 2018 · 32 citations

Identification of phytocompounds as newer antiviral drugs against COVID-19 through molecular docking and simulation based study

Bipasa Kar, Budheswar Dehury, Mahender Kumar Singh et al. · Journal of Molecular Graphics and Modelling · 2022 · 28 citations · Full text

Newer Antiviral Drugs, Medicine, Pharmacology +9

Exploiting the potential of natural polyphenols as antivirals against monkeypox envelope protein F13 using machine learning and all-atoms MD simulations

Madhusmita Rout, Sarbani Mishra, Suchanda Dey et al. · Computers in Biology and Medicine · 2023 · 25 citations · Full text

All-atoms Md Simulations, Natural Polyphenols, Machine Learning +9

Insilico generation of novel ligands for the inhibition of SARS-CoV-2 main protease (3CLpro) using deep learning

Prejwal Prabhakaran, Ananda Vardhan Hebbani, Soumya V. Menon et al. · Frontiers in Microbiology · 2023 · 20 citations · Full text