Pradipta Bandyopadhyay

发表

A memory-based random walk model to understand diffusion in crowded heterogeneous environment

Sabeeha Hasnain, Upendra Harbola, Pradipta Bandyopadhyay, 2017, International Journal of Modern Physics B.

Direct hydroxide attack is a plausible mechanism for amidase antibody 43C9

Irwin D. Kuntz, Peter A. Kollman, Pradipta Bandyopadhyay, 2003, J. Comput. Chem..

Conformational Dynamics of HIV-1 protease: a Comparative molecular Dynamics Simulation Study with Multiple AMBER Force Fields

Smriti Sharma, Pradipta Bandyopadhyay, Biswa Ranjan Meher, 2012, J. Bioinform. Comput. Biol..

Riboswitch Detection Using Profile Hidden Markov Models

Pradipta Bandyopadhyay, Supratim Sengupta, Sudha Bhattacharya, 2009, BMC Bioinformatics.

On the Uniform Mazur Intersection Property

Pradipta Bandyopadhyay, Jadav Ganesh, Deepak Gothwal, 2020, 2012.12538.

Proximinality in Banach spaces

Yongjin Li, Bor-Luh Lin, Pradipta Bandyopadhyay, 2008 .

An Integrated Effective Fragment—Polarizable Continuum Approach to Solvation: Theory and Application to Glycine

Jacopo Tomasi, Mark S. Gordon, Benedetta Mennucci, 2002 .

Ab initio Monte Carlo simulation using multicanonical algorithm: temperature dependence of the average structure of water dimer

Seiichiro Ten-no, Pradipta Bandyopadhyay, Suehiro Iwata, 1999 .

A New Coarse-Grained Model for E. coli Cytoplasm: Accurate Calculation of the Diffusion Coefficient of Proteins and Observation of Anomalous Diffusion

Matthew P. Jacobson, Christopher L. McClendon, Sabeeha Hasnain, 2014, PloS one.

Ball proximinality in Banach spaces

Bor-Luh Lin, T. S. S. R. K. Rao, Pradipta Bandyopadhyay, 2007 .

Nested Sequences of Balls, Uniqueness of Hahn-Banach Extensions and the Vlasov Property

Pradipta Bandyopadhyay, A. K. Roy, 2003 .

Atlas of putative minima and low-lying energy networks of water clusters n = 3-25.

Pradipta Bandyopadhyay, Sotiris S Xantheas, Josef Heindel, 2019, The Journal of chemical physics.

Facilitating Minima Search for Large Water Clusters at the MP2 Level via Molecular Tailoring.

Pradipta Bandyopadhyay, Anuja P. Rahalkar, Shridhar R Gadre, 2012, The journal of physical chemistry letters.

A combined discrete/continuum solvation model: Application to glycine

Mark S. Gordon, Pradipta Bandyopadhyay, M. Gordon, 2000 .

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

Pradipta Bandyopadhyay, Avijit Rakshit, 2013 .

A look inside the black box: Using graph-theoretical descriptors to interpret a Continuous-Filter Convolutional Neural Network (CF-CNN) trained on the global and local minimum energy structures of neutral water clusters.

Sutanay Choudhury, Jenna A. Bilbrey, Jenna A Bilbrey, 2020, The Journal of chemical physics.

Accelerating quantum mechanical/molecular mechanical sampling using pure molecular mechanical potential as an importance function: the case of effective fragment potential.

Pradipta Bandyopadhyay, P. Bandyopadhyay, 2005, The Journal of chemical physics.

Monte Carlo temperature basin paving with effective fragment potential: an efficient and fast method for finding low-energy structures of water clusters (H2O)20 and (H2O)25.

Pradipta Bandyopadhyay, P. Bandyopadhyay, Sudhanshu Shanker, 2011, The journal of physical chemistry. A.

The Effective Fragment Potential Method: A QM-Based MM Approach to Modeling Environmental Effects in Chemistry

Mark S. Gordon, Visvaldas Kairys, Pradipta Bandyopadhyay, 2001 .