Pradipta Bandyopadhyay
Pradipta Bandyopadhyay
Verified email at mail.jnu.ac.in - Homepage
TitleCited byYear
The effective fragment potential method: A QM-based MM approach to modeling environmental effects in chemistry
MS Gordon, MA Freitag, P Bandyopadhyay, JH Jensen, V Kairys, ...
The Journal of Physical Chemistry A 105 (2), 293-307, 2001
6072001
An integrated effective fragment—polarizable continuum approach to solvation: Theory and application to glycine
P Bandyopadhyay, MS Gordon, B Mennucci, J Tomasi
The Journal of chemical physics 116 (12), 5023-5032, 2002
1372002
A combined discrete/continuum solvation model: application to glycine
P Bandyopadhyay, MS Gordon
The Journal of Chemical Physics 113 (3), 1104-1109, 2000
1352000
Facilitating minima search for large water clusters at the mp2 level via molecular tailoring
JP Furtado, AP Rahalkar, S Shanker, P Bandyopadhyay, SR Gadre
The journal of physical chemistry letters 3 (16), 2253-2258, 2012
552012
Partial acetylation of lysine residues improves intraprotein cross-linking
X Guo, P Bandyopadhyay, B Schilling, MM Young, N Fujii, T Aynechi, ...
Analytical chemistry 80 (4), 951-960, 2008
422008
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
S Shanker, P Bandyopadhyay
The Journal of Physical Chemistry A 115 (42), 11866-11875, 2011
392011
Accelerating quantum mechanical/molecular mechanical sampling using pure molecular mechanical potential as an importance function: the case of effective fragment potential
P Bandyopadhyay
The Journal of chemical physics 122 (9), 091102, 2005
332005
A new coarse-grained model for E. coli cytoplasm: accurate calculation of the diffusion coefficient of proteins and observation of anomalous diffusion
S Hasnain, CL McClendon, MT Hsu, MP Jacobson, P Bandyopadhyay
PLoS One 9 (9), e106466, 2014
292014
Riboswitch detection using profile hidden Markov models
P Singh, P Bandyopadhyay, S Bhattacharya, A Krishnamachari, ...
BMC bioinformatics 10 (1), 325, 2009
292009
Cooperative Roles of Charge Transfer and Dispersion Terms in Hydrogen-Bonded Networks of (H2O) n, n= 6, 11, and 16
S Iwata, P Bandyopadhyay, SS Xantheas
The Journal of Physical Chemistry A 117 (30), 6641-6651, 2013
202013
Inhibition of Mycobacterium tuberculosis AhpD, an element of the peroxiredoxin defense against oxidative stress
A Koshkin, X Zhou, CN Kraus, JM Brenner, P Bandyopadhyay, ID Kuntz, ...
Antimicrobial agents and chemotherapy 48 (7), 2424-2430, 2004
192004
Drug Resistance of HIV‐1 Protease Against JE‐2147: I47V Mutation Investigated by Molecular Dynamics Simulation
P Bandyopadhyay, BR Meher
Chemical biology & drug design 67 (2), 155-161, 2006
182006
Jensen JH. Kairys V, Stevens WJ. The effective fragment potential method: a QM-based MM approach to modeling environmental effects in chemistry
MS Gordon, MA Freitag, P Bandyopadhyay
J Phys Chern A 105, 293-307, 2000
182000
M.; Montgomery
MW Schmidt, KK Boldrige, IA Boatz, ST Elbert, S Koseki, N Matsunaga, ...
J. Comput. Chem 14, 1347-1363, 1993
17*1993
Gamess user's guide
MW Schmidt, KK Baldridge, JA Boatz, ST Elbert, MS Gordon, JJ Jensen, ...
Ames, Iowa: Iowa State University, 2007
162007
Assessment of Two Surface Monte Carlo (TSMC) method to find stationary points of (H2O)15 and (H2O)20 clusters
P Bandyopadhyay
Theoretical Chemistry Accounts 120 (1-3), 307-312, 2008
152008
Coupling of large-amplitude side chain motions to the excited-state H-atom transfer of perylene quinones: application of theory and experiment to calphostin C
A Datta, P Bandyopadhyay, J Wen, JW Petrich, MS Gordon
The Journal of Physical Chemistry A 105 (6), 1057-1060, 2001
142001
Low energy isomers of (H2O)25 from a hierarchical method based on Monte Carlo temperature basin paving and molecular tailoring approaches …
N Sahu, SR Gadre, A Rakshit, P Bandyopadhyay, E Miliordos, ...
The Journal of chemical physics 141 (16), 164304, 2014
132014
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 …
A Rakshit, P Bandyopadhyay
Computational and Theoretical Chemistry 1021, 206-214, 2013
132013
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 …
A Rakshit, P Bandyopadhyay
Computational and Theoretical Chemistry 1021, 206-214, 2013
132013
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