Computational Biophysical Chemistry

Hansmann Group

Contact us at:
Dept. of Chemistry and Biochemistry
University of Oklahoma
101 Stephenson Parkway
Norman, OK 73019-5251,USA

E-mail: uhansmann at

Preeti Pandey


Postdoctoral Associate


Stephenson Life Sciences Research Center 3002, 101 Stephenson Parkway, Norman, OK 73019-5251, USA




preeti.pandey28 at


Computational Study of protein association and aggregation


2006-2009 B. Sc. (Botany Hons), Banaras Hindu University, Varanasi, India

2009-2011 M.Sc. (Bioinformatics), Banaras Hindu University, Varanasi, India

2011-2017 PhD, Jawaharlal Nehru University, New Delhi, India

2017-2018, Research Associate, Jawaharlal Nehru University, New Delhi, India

Jan 2019-, Post doctoral researcher, University of Oklahoma, USA


  1. P. Pandey, A. M. Lynn and P. Bandyopadhyay, Identification of inhibitors against α-Isopropylmalate Synthase of Mycobacterium tuberculosis using docking-MM/PBSA hybrid approach, Bioinformation, 13(5) (2017) 144å-148.
  2. A. Prakash, V. Kumar, P. Pandey, D. R. Bharti, P. Vishwakarma, R. Singh, Md. Imtaiyaz Hassan and A. M. Lynn, Solvent sensitivity of protein aggregation in Cu, Zn superoxide dismutase: A molecular dynamics simulation study, Journal of Biomolecular Structure and Dynamics, (2017) 1-13.
  3. P. Pandey, R. Srivastava and P. Bandyopadhyay, Comparison of Molecular Mechanics-Poisson-Boltzmann surface area (MM-PBSA) and Molecular Mechanics-Three-dimensional Reference Interaction Site Model (MM-3D-RISM) method to calculate the binding free energy of protein-ligand complexes: Effect of metal ion and advance statistical test, Chemical Physics Letters, 695 (2018) 69-78
  4. P. Pandey, S. Hasnain and S. Ahmad, Protein-DNA interactions, Reference Module in Life Sciences (2018)
  5. C. B. Mishra, S. Kumari, A. Prakash, R. Yadav, A. K. Tiwari, P. Pandey and M. Tiwari, Discovery of Novel Methylsulfonyl Phenyl Derivatives as Potent Human Cyclooxygenase-2 Inhibitors with Effective Anticonvulsant Action: Design, Synthesis, In-silico, In-vitro and In-vivo evaluation, European Journal of Medicinal Chemistry, 151 (2018) 520-532.
  6. A. Prakash, V. Kumar, P. Pandey, A. M. Lynn and Md. I. Hassan, Local Unfolding and Fibrillation of SOD1: Bridging experiment and simulation studies, Biochemical Journal, 475(10) (2018) 1701-1719
  7. A. K. Jaiswal, R. Srivastava, P. Pandey and P. Bandyopadhyay, Microscopic picture of water-ethylene glycol interaction near a model DNA by computer simulation: Concentration dependence, structure, and localized thermodynamics, PloS one, 13 (11) (2018) e0206359.
  8. S. H. Khan, A Prakash, P Pandey, A. M. Lynn, A. Islam, Md. I. Hassan and F. Ahmad, Protein folding: Molecular dynamics simulations and in vitro studies for probing mechanism of urea-and guanidinium chloride-induced unfolding of horse cytochrome-c, International journal of biological macromolecules, 122 (2018) 695-704.