Dr. Padmabati Mondal


Assistant Professor

Department of Chemistry, IISER Tirupati

Email: padmabati.mondal@iisertirupati.ac.in

Phone: +91 877 2500 926

Group Webpage

Research Interests:
  • Excited state quantum chemistry including non-adiabatic processes in transition metal complexes and biologically relevant organic chromophores.
  • QM/MM study of biological reaction mechanism.
  • Protein-ligand binding study using molecular dynamics simulations.
Educational and professional career:
  • Assistant Professor (February 2019- ) Indian Institute of Science Education and Research Tirupati, India
  • Postdoctoral Researcher (January 2018-Decemeber 2018) Aix-Marseille University, Marseille, France
  • Postdoctoral Researcher (August 2015-October 2017) University of Basel, Basel, Switzerland
  • Postdoctoral Researcher (April 2013- July 2015) Goethe University Frankfurt, Frankfurt am Main, Germany
  • PhD (December 2008-December 2012) Technical University of Munich, Garching, Germany
Honours and Awards:
  • Start-up Research Grant by SERB, Gov. of India
  • Marie Sklodowska Curie Seal of Excellence award by European Commission.
  • CSIR Junior Research Fellowship.
  • Rajiv Gandhi Science Talent Research Scholarship.
  • Jawharlal Nehru Centre for Advanced Scientific Research Summer Research Fellowship.
Selected publications :
  • P. Mondal, In Silico decryption of serotonin-receptor binding: local non-covalent interaction and long-range conformational changes (2020), RSc. Adv., 10, 37995.
  • P. Mondal, K. Schwinn and M. Huix-Rotllant, Impact of the redox state of flavin chromophore on the UV-vis spectra, redox and acidity constants and electron affinity (2020), J. Photochem. Photobiol. A: Chemistry, 387, 112164.
  • P. Mondal and M. Huix-Rotllant, Theoretical Insight into the Formation and Stability of Reactive Oxygen Species in Cryptochrome (2019), Physical Chemistry Chemical Physics, 21: 8874.
  • P. Mondal, G. Granucci, D. Rastädter, M. Persico and I. Burghardt, Azobenzene as a Photoregulator Covalently Attached to RNA : A Quantum Mechanics/Molecular Mechanics Surface Hopping Study, (2018), Chemical Science, 9: 4671.
  • P. Mondal and M. Meuwly, Solvent Composition Drives the Rebinding Kinetics of Nitric Oxide to Microperoxidase (2018), Scientific Reports , 8: 5281
  • P. Mondal and M. Meuwly, Vibrational Stark Spectroscopy for Assessing Ligand Binding Strength in a Protein, (2017) Physical Chemistry Chemical Physics, 19: 16131.
  • P. Mondal, D. Opalka, L. V. Poluyanov, W. Domcke, Jahn-Teller and spin-orbit coupling effects in transition metal trifluorides (2011), Chemical Physics, 387 : 56
  • CHM 121 - Physical Chemistry
  • CHM 122 - Chemistry Laboratory I
  • CHM 311/611 - Quantum Chemistry I
  • IDC212 - Computational Methods
  • CHM463 - Simulation and Modelling
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  Last Modified : 23 February 2021 UTC 11:22am