Google Scholar: https://scholar.google.com/citations?user=hCi2ZLsAAAAJ&hl=en
Assistant Professor, Department of Chemistry, St. Stephen’s College, University of Delhi, Delhi, India, 2017-2018
Adaptive MD for peptide-MHC complexes
Protein Folding Pathways: Thermodynamics and Hydration shell Behavior
Metal Surface Deactivation by Biogenic Impurities:
- M. Gupta, T. S. Khan, M. Agarwal, M. A. Haider, “Understanding the Nature of Amino Acid Interactions with Pd(111) or Pd–Au Bimetallic Catalysts in the Aqueous Phase” Langmuir 2018, 34, 1300-1310.
- M. Gupta, P. Khatua, C. Chakravarty and S. Bandyopadhyay “Hydration Behavior along the Folding Pathways of Trpzip4, Trpzip5 and Trpzip6” J. Phys. Chem. B 2018, 122, 1560-1572.
- M. Gupta, T. S. Khan, S. Gupta, M. I. Alam, M. Agarwal, M. A. Haider “Non-bonding and Bonding Interactions of Biogenic Impurities with the Metal Catalyst and the Design of Bimetallic Alloys” J. Catal. 2017, 352, 542-556.
- M. Gupta, P. Khatua, C. Chakravarty and S. Bandyopadhyay “The Sensitivity of Folding Free Energy Landscapes of Trpzips” Phys. Chem. Chem. Phys. 2017, 19, 22813-22825.
- M. Gupta, C. Chakravarty and S. Bandyopadhyay “Sensitivity of Protein-Glass Transition to the Choice of Water Model” J. Chem. Theory and Comput. 2016, 12, 5643-5655.
- M. Gupta, C. Chakravarty and S. Bandyopadhyay “Comparison of Hydration Behavior and Conformational Preferences of the Trp-cage Mini-protein in Different Rigid Body Water Models” Phys. Chem. Chem. Phys. 2016, 18, 32796-32813.