Madhur Babu Singh

Hunting the main protease of SARS-CoV-2 by plitidepsin: Molecular docking and temperature-dependent molecular dynamics simulations

Vijay Kumar Vishvakarma, Madhur Babu Singh, Pallavi Jain et al. · Amino Acids · 2021 · 56 citations · Full text

Virus Structure, Protein Assembly, Biochemistry +8

Green nanoparticles for advanced corrosion protection: Current perspectives and future prospects

Sandeep Yadav, Anirudh Pratap Singh Raman, Madhur Babu Singh et al. · Applied Surface Science Advances · 2024 · 55 citations · Full text

Materials Science, Green Nanoparticles, Chemical Engineering +15

An In Silico investigation for acyclovir and its derivatives to fight the COVID-19: Molecular docking, DFT calculations, ADME and td-Molecular dynamics simulations

Madhur Babu Singh, Pallavi Jain, Jaya Tomar et al. · Journal of the Indian Chemical Society · 2022 · 40 citations · Full text

Engineering, Medicine, Silico Investigation +8

An update on synthesis, properties, applications and toxicity of the ILs

Himani, Anirudh Pratap Singh Raman, Madhur Babu Singh et al. · Journal of Molecular Liquids · 2022 · 36 citations

Inflammation, Anti-inflammatory, Immunotoxicology +5

An investigation for the interaction of gamma oryzanol with the Mpro of SARS-CoV-2 to combat COVID-19: DFT, molecular docking, ADME and molecular dynamics simulations

Anirudh Pratap Singh Raman, Madhur Babu Singh, Vijay Kumar Vishvakarma et al. · Journal of Biomolecular Structure and Dynamics · 2022 · 32 citations