Publications
Journal Publications
K. Chakraborty and S. Bandyopadhyay ,"Effect of protein-DNA complex formation on the intermolecular vibrational density of states of interfacial water" Phys. Chem. Chem. Phys., 18 7780-7788 (2016), 2016
K. Chakraborty, P. Khatua and S. Bandyopadhyay ,"Exploring ion induced folding of a single-stranded DNA oligomer from molecular simulation studies" Phys. Chem. Chem. Phys., 18 15899-15910 (2016), 2016
M. Gupta, C. Chakravarty and S. Bandyopadhyay,"Sensitivity of protein glass transition to the choice of water model " J. Chem. Theory and Comput., 12 0000 (2016), 2016
P. Khatua, J. C. Jose, N. Sengupta and S. Bandyopadhyay,"Conformational features of Abeta-42 peptide monomer and its interaction with surrounding solvent" Phys. Chem. Chem. Phys., 18 30144-30159 (2016), 2016
M. Gupta, D. Nayar, C. Chakravarty and S. Bandyopadhyay,"Comparison of hydration behavior and conformational preferences of Trp-cage mini-protein in different rigid-body water models" Phys. Chem. Chem. Phys., 18 0000 (2016), 2016
K. Chakraborty, S. K. Sinha and S. Bandyopadhyay,"Thermodynamics of complex structures formed between single-stranded DNA oligomers and the KH domains of the far upstream element binding protein" J. Chem. Phys., 144 205105 (2016), 2016
K. Chakraborty and S. Bandyopadhyay,"Effect of temperature on the low-frequency vibrational spectrum and relative structuring of hydration water around a single-stranded DNA" J. Chem. Phys, 142 015101 (2015), 2015
S. Pal, K. Chakraborty, P. Khatua and S. Bandyopadhyay,"Microscopic dynamics of water around unfolded structures of barstar at room temperature" J. Chem. Phys, 142 055102 (2015), 2015
K. Chakraborty and S. Bandyopadhyay,"Dynamics of water around the complex structures formed between the KH domains of far upstream element binding protein and single-stranded DNA molecules" J. Chem. Phys., 143 045106 (2015), 2015
D. Dhabal, A. H. Nguyen, M. Singh, P. Khatua V. Molinero, S. Bandyopadhyay and C. Chakravarty,"Excess entropy and crystallization in Stillinger-Weber and Lennard-Jones fluids." J. Chem. Phys., 143 164512 (2015), 2015
K. Chakraborty and S. Bandyopadhyay,"Correlated conformational motions of the KH domains of Far Upstream Element binding protein complexed with single-stranded DNA oligomers" J. Phys. Chem. B 119 10998-11009 (2015), 2015
S. K. Sinha, M. Jana, K. Chakraborty and S. Bandyopadhyay,"In-silico studies of the properties of water hydrating a small protein" J. Chem. Phys, 141 22D502 (2014), 2014
J. C. Jose, P. Khatua, N. Bansal, N. Sengupta and S. Bandyopadhyay,"Microscopic hydration properties of the ABeta(1-42) peptide monomer and the globular protein ubiquitin: A comparative molecular dynamics study" J. Phys. Chem. B, 118 11591-11604 (2014), 2014
U. S. Midya and S. Bandyopadhyay,"Hydration behavior at the ice-binding surface of the antifreeze protein TmAFP" J. Phys. Chem. B 118 4743-4752 (2014), 2014
K. Chakraborty and S. Bandyopadhyay,"Correlated dynamical crossovers of the hydration layer of a single-stranded DNA oligomer" J. Phys. Chem. B 118 413-422 (2014), 2014
S. Pal and S. Bandyopadhyay,"Effects of protein conformational motions in the native form and non-uniform distribution of electrostatic interaction sites on interfacial water" Chem. Phys., 420 35-43 (2013), 2013
S. Pal, K. Chakraborty, U. S. Midya, P. Khatua and S. Bandyopadhyay,"Computer simulation studies of biomolecular hydration" ISRAPS Bull., 25 77-83 (2013), 2013
S. Pal and S. Bandyopadhyay,"Effects of protein conformational flexibilities and electrostatic interactions on the low-frequency vibrational spectrum of hydration water" J. Phys. Chem. B, 117 5848-5856 (2013), 2013
M. Jana and S. Bandyopadhyay,"Molecular dynamics study of beta-cyclodextrin-phenylalanine (1:1) inclusion complex in aqueous medium" J. Phys. Chem. B, 117 9280-9287 (2013), 2013
K. Chakraborty, S.Mantha and S. Bandyopadhyay,"Molecular dynamics simulation of a single-stranded DNA with heterogeneous distribution of nucleobases in aqueous medium" J. Chem. Phys., 139 075103 (2013), 2013
S. Pal and S. Bandyopadhyay,"Thermal unfolding of barstar and the properties of interfacial water around the unfolded forms" J. Chem. Phys., 139 235101 (2013), 2013
S. Pal and S. Bandyopadhyay,"Importance of protein conformational motions and electrostatic anchoring sites on the dynamics and hydrogen bond properties of hydration water" Langmuir 29 1162-1173 (2013), 2013
Conference Publications
