Exploration of DFT and TD-DFT computation to investigate the interaction between paracetamol and lithium or its compounds

por Singh, Madhur Babu, Bhagat, Pooja, Jain, Pallavi, Singh, Prashant
Publicado 2023

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

por Vishvakarma, Vijay Kumar, Singh, Madhur Babu, Jain, Pallavi, Kumari, Kamlesh, Singh, Prashant
Publicado 2021

A comparative study of 5- fluorouracil, doxorubicin, methotrexate, paclitaxel for their inhibition ability for Mpro of nCoV: Molecular docking and molecular dynamics simulations

por Singh, Madhur Babu, Vishvakarma, Vijay Kumar, Lal, Aditya Aryan, Chandra, Ramesh, Jain, Pallavi, Singh, Prashant
Publicado 2022

Imidazolium-Based Ionic Liquid-Assisted Silver Nanoparticles and Their Antibacterial Activity: Experimental and Density Functional Theory Studies

por Avirdi, Elham, Paumo, Hugues Kamdem, Kamdem, Boniface Pone, Singh, Madhur Babu, Kumari, Kamlesh, Katata-Seru, Lebogang, Bahadur, Indra
Publicado 2023

An understanding of coronavirus and exploring the molecular dynamics simulations to find promising candidates against the Mpro of nCoV to combat the COVID-19: A systematic review

por Singh, Madhur Babu, Sharma, Ritika, Kumar, Durgesh, Khanna, Pankaj, Mansi, Khanna, Leena, Kumar, Vinod, Kumari, Kamlesh, Gupta, Akanksha, Chaudhary, Preeti, Kaushik, Neha, Choi, Eun Ha, Kaushik, Nagendra Kumar, Singh, Prashant
Publicado 2022