Bipin finished his Ph.D. in Bioinformatics from IIIT-Hyderabad. During his Ph.D., he worked on elucidating the molecular mechanisms of mutation-induced thermostability in industrially important bacterial lipases through molecular simulations. His broad area of specialization is computational drug discovery and structural bioinformatics. He received a highly competitive GPU hardware grant from NVIDIA corporation, USA in 2017 for his research work. He was also part of the project team winning the consolation prize in the highly competitive National Drug Discovery Hackathon for COVID-19 launched by MHRD and Govt. of India in 2020. He is currently working on elucidating the molecular basis of the activity of bioactive peptides for infectious and neglected tropical diseases, along with his team of Ph.D. research scholars and external collaborators.

• Ph.D. Bioinformatics (2009-2017) IIIT-Hyderabad, Telangana
• M.Sc. Bioinformatics (2006-2008) University of Allahabad, U.P.
• B.Sc. Chemistry, Botany, Zoology (2003-2006) University of Allahabad, U.P.

Publications

For an updated list visit: Google Scholar: https://scholar.google.co.in/citations?user=RROC3RsAAAAJ&hl=en
ResearchGate: https://www.researchgate.net/profile/Bipin-Singh-11

Journal Publications

• Nemati, M., Singh, B., Mir, R.A. et al. (2022) Plant-derived extracellular vesicles: a novel nanomedicine approach with advantages and challenges. Cell Commun Signal 20(1), 1-16.
• Maitra, A., & Singh, B. (2022). Interpreting force response patterns of a mechanically driven crystallographic phase transition. Phys Rev Mater, 6(4), 043404.
• Singh, B., & Barman, S. (2022). Rapid and precise discrimination between pure and adulterated commercial Indian Honey brands using FTIR spectroscopy and principal component analysis. Current Nutrition & Food Science, 18 (9), 780-784.
• Barman S, Singh B, Bag A, Patel AS, Chakraborti A, Rana A. (2021). Visible light driven photocatalytic degradation of Methyl Orange by Fe2O3-BiOCl0.5Br0.5 composite photocatalyst. Asia-Pac J Chem Eng, 16(6): e2715.
• Singh, B. Role of key point Mutations in Receptor Binding Domain of SARS-CoV-2 Spike Glycoprotein. (2020). Infectious Disorders – Drug Targets, 21(4), 640-642.
• Bobbili, K. B., Singh, B., Narahari, A., Bulusu, G., Surolia, A., Swamy, M. J. Chitooligosaccharide binding to CIA17 (Coccinia indica agglutinin): Thermodynamic characterization and formation of higher order complexes. (2019). Int. J. Biol. Macromol., 137:774-782.
• Farhi, A., and Singh, B. (2016). Calculation of molecular free energies in classical potentials. N. J. Phys., 18 023039.
• Farhi, A., and Singh, B. (2016). A novel method to calculate relative free energy of solvation and binding of similar molecules. Comp. Phys. Commun., 212, 132–145.
• Singh, B., Bulusu, G., and Mitra, A. (2016) Effects of point mutations on the thermostability of B. subtilis lipase: Investigating Nonadditivity. J. Comput. Aided Mol. Des., 30(10), 899-916.
• Singh, B., Bulusu, G., and Mitra, A. (2015) Understanding the Thermostability and Activity of Bacillus subtilis Lipase mutants: Insights from Molecular Dynamics Simulations. J. Phys. Chem. B., 119(2), 392–409.

Preprints

• Sharma, V., Chhatwal, S., & Singh, B. (2022). An Explainable Artificial Intelligence-based Prospective Framework for COVID-19 Risk Prediction. medRxiv. https://doi.org/10.1101/2021.03.02.21252269

Conference Publications

• M Zhong, T Hu, Y Jiao, SZ Dhuliawala, B Singh. Drug Repositioning via Text Augmented Knowledge Graph Embeddings. https://openreview.net/forum?id=qI-IS8DPq_N NeurIPS 2021. AI for Science Workshop.

Book Chapters

• Aditi Sen De: Inspiring Many Lives. Vigyan Vidushi, Vigyan Prasar, DST, GoI.
• Meena Mahajan: Intriguing, Curious but Logical. Vigyan Vidushi, Vigyan Prasar, DST, GoI.

• Associate Professor (08/2025 – Present) Centre for Life Sciences Mahindra University, Hyderabad, Telangana
• Assistant Professor (06/2023 – 08/2025 Centre for Life Sciences Mahindra University, Hyderabad, Telangana
• Assistant Professor (10/2021 – 06/2023) Department of Biotechnology Bennett University, Greater Noida, U.P.
• Assistant Professor (08/2017 – 10/2021) Department of Applied Sciences
  BML Munjal University, Gurugram, Haryana

• Computational Drug Discovery
• Computational Protein & Enzyme Engineering
• AI and ML for Bioinformatics
• Biological Networks
• NGS Data Analysis for Targeted Therapy