Mahender Kumar Singh

According to our database, Mahender Kumar Singh authored at least 5 papers between 2006 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

Identification of potent phytochemicals against Magnaporthe oryzae through machine learning aided-virtual screening and molecular dynamics simulation approach.

Sneha Murmu, A. Aravinthkumar, Mahender Kumar Singh, Soumya Sharma, Ritwika Das, Girish Kumar Jha, Ganesan Prakash, Virendra Singh Rana, Parshant Kaushik, Mohammad Samir Farooqi

Comput. Biol. Medicine, 2025

2024

Classical molecular dynamics simulation identifies catechingallate as a promising antiviral polyphenol against MPOX palmitoylated surface protein.

Sarbani Mishra, Madhusmita Rout, Mahender Kumar Singh, Budheswar Dehury, Sanghamitra Pati

Comput. Biol. Chem., 2024

2023

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, Mahender Kumar Singh, Budheswar Dehury, Sanghamitra Pati

Comput. Biol. Medicine, August, 2023

2018

Novel insight into the molecular interaction of catalase and sucrose: A combination of <i>in silico</i> and <i>in planta assays</i> study.

Sunil Kumar, Khurshid Ahmad, Gitanjali Tandon, Udai B. Singh, Yachana Jha, Dipak T. Nagrale, Mahender Kumar Singh, Khyati Girdhar, Prosenjit Mondal

Comput. Electron. Agric., 2018

2006

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

Mahender Kumar Singh, Shilpy Srivastava, G. P. S. Raghava, Grish C. Varshney

Bioinform., 2006