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  • Dr. Bipin Singh Assistant Professor
    • School Schools of Engineering and Technology
    • Department/Programme Chemistry
    • Position (additional roles) Mentor to ENACTUS club
    • Email

    Dr. Bipin Singh did his doctorate from IIIT-Hyderabad under the guidance of Prof. Abhijit Mitra (IIIT-Hyderabad) and Prof. Gopalakrishnan Bulusu (TCS Innovation Labs, TCS Limited, Hyderabad). During his doctoral studies, he had taken up the problem of understanding the molecular mechanism of temperature-dependent stability and activity of B. subtilis lipase mutants, using MD simulations. Apart from this, he had been actively involved as a part of the story-board and content development team of an MHRD project ‘Circular Dichroism (CD) spectroscopy virtual lab’. He was also involved with a DBT project ‘Computational Core for Plant Metabolomics’ at IIIT-Hyderabad.

    • Emerging Life Sciences
    • Graduation In: Biology, Chemistry
    • Graduation From: University of Allahabad (Central University), Allahabad, U.P.
    • Graduation Year: 2006
    • Post Graduation In: Bioinformatics
    • Post Graduation From: University of Allahabad (Central University), Allahabad, U.P.
    • Post Graduation Year: 2008
    • Doctorate In: Bioinformatics
    • Doctorate From: IIIT-Hyderabad, Telangana
    • Doctorate Year: 2017
    August 2017-PresentAssistant Professor, BML Munjal University, Gurgaon
    • Biomolecular Simulations
    • Enzyme Thermostability
    • NGS Data Analysis
    • Network Biology
    • G-protein Coupled Receptor Dynamics
    • Singh, B., Bulusu, G., and Mitra, A. Understanding the Thermostability and Activity of Bacillus subtilis Lipase mutants: Insights from Molecular Dynamics Simulations. J. Phys. Chem. B. (2015), 119 (2), 392–409.
    • Singh, B., Bulusu, G., and Mitra, A. Effects of point mutations on the thermostability of B. subtilis lipase: Investigating Nonadditivity. J. Comput. Aided Mol. Des., (2016), 30(10), 899-916.
    • Farhi, A., and Singh, B. Calculation of molecular free energies in classical potentials. N. J. Phys. (2016), 18 023039.
    • Farhi, A., and Singh, B. A novel method to calculate relative free energy of solvation and binding of similar molecules. J. Comp. Phys. Commun. (2016). 212, 132–145.
    • Singh, B., Bulusu, G., and Mitra, A. Assessment of the effect of point mutations in B. subtilis lipase: A contact network study of crystal structures and MD simulation trajectories. (To be submitted)
    • Singh, B., Bulusu, G., and Mitra, A. A computational investigation on conformational basis of substrate binding and chain length selectivity in B. subtilis lipase and its mutants. (To be submitted)
    • Received Titan Xp GPU grant from NVIDIA Corporation for research.
    • Best oral presentation award at Annual meeting of Indian Biophysical Society-2012 organized by IBS and Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Chennai, India.
    • Editorial board member of Computational Biology and Bioinformatics journal, Science Publishing Group, New York, U.S.A. (
    • Understanding the structure and dynamics of biotechnologically and bio-medically important proteins at molecular level.
    • Development of efficient methods of free energy calculations for protein-drug binding and biochemical transformations.
    • Application of next generation sequencing in molecular diagnostics of cancer and rare diseases

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