Pradipta Bandyopadhyay | Welcome to Jawaharlal Nehru University

Pradipta Bandyopadhyay

Professor

Centre/School/Special Centre

School of Computational and Integrative Sciences

Off. Phone

011-26738704

pradipta_b@mail.jnu.ac.in, praban07@gmail.com

Personal Webpage

https://jnu.ac.in/Faculty/pradipta_b

Qualifications

Ph.D.

Areas of Interest/Specialization

Theoretical and Computational Biophysical Chemistry

Experience

Post-doctoral fellow at Iowa State University, University of California, San Francisco
Assistant Professor – IIT Guwahati (2004-07)
Visiting Associate Professor : University of California, San Francisco (2008)

Awards & Honours

Indo-US research fellowship 2008
Distinguished Lecturership award from Chemical Society of Japan, 2013

International Collaboration/Consultancy

Nil

Best Peer Reviewed Publications

(a) Monte Carlo Energy Landscape Paving and Basin Paving simulation of RNA T-loop hairpin.
Pradipta Bandyopadhyay,Hungyo Kharerin, Chem. Phys. Lett., 502, 130 (2011).

(b) Efficient conformational sampling by Monte Carlo Basin Paving method: Distribution of minima on the energy surface of (H2O)20 and (H2O)50.
Pradipta Bandyopadhyay, Chem. Phys. Lett., 487, 133 (2010).

(c) Computational investigation of kinetics of cross-linking reactions in proteins: importance in structure prediction.
Pradipta Bandyopadhyay*, Irwin D. Kuntz, Biopolymers, 91, 68 (2009).
*Corresponding author

(d) Accelerating QM/MM sampling using pure MM potential: the case of effective fragment potential.
Pradipta Bandyopadhyay, Journal of Chemical Physics, 122, 2005 (1st March issue).

(e) An integrated Effective Fragment-Polarizable Continuum approach to solvation: Theory and Application to Glycine.
P. Bandyopadhyay, M. S. Gordon, B. Mennucci, J. Tomasi. J. Chem. Phys., 2002, 116, 5023

Recent Peer Reviewed Journals/Books

* Cooperative Roles of Charge Transfer and Dispersion Terms in Hydrogen-Bonded Networks of (H2O)n, n = 6, 11, and 16
Suehiro Iwata , Pradipta Bandyopadhyay , and Sotiris S. Xantheas, J.Phys.Chem. A 2013, 117 (30), pp 6641–6651,.

* Finding low energy minima of (H2O)25 and (H2O)30 with temperature basin paving Monte Carlo method with effective fragment potential: New "global minimum" and graph theoretical characterization of low energy structures
Avijit Rakshit, Pradipta Bandyopadhyay, Theoretical and Computational Chemistry, 2013 (In press).

* Increasing the efficiency of Monte Carlo simulation with sampling from an approximate potential.
Pradipta Bandyopadhyay,Chem. Phys. Lett. 556, 341 (2013)

Patents (if any)

Nil