Effect of protein-DNA complex formation on the intermolecular vibrational density of states of interfacial water
Authors : K. Chakraborty and S. Bandyopadhyay
Volumn : , Pages :
Journal : Phys. Chem. Chem. Phys., 18 7780-7788 (2016), Year : 2016, Post On : 22-12-2018

Exploring ion induced folding of a single-stranded DNA oligomer from molecular simulation studies
Authors : K. Chakraborty, P. Khatua and S. Bandyopadhyay
Volumn : , Pages :
Journal : Phys. Chem. Chem. Phys., 18 15899-15910 (2016), Year : 2016, Post On : 22-12-2018

Sensitivity of protein glass transition to the choice of water model
Authors : M. Gupta, C. Chakravarty and S. Bandyopadhyay
Volumn : , Pages :
Journal : J. Chem. Theory and Comput., 12 0000 (2016), Year : 2016, Post On : 22-12-2018

Conformational features of Abeta-42 peptide monomer and its interaction with surrounding solvent
Authors : P. Khatua, J. C. Jose, N. Sengupta and S. Bandyopadhyay
Volumn : , Pages :
Journal : Phys. Chem. Chem. Phys., 18 30144-30159 (2016), Year : 2016, Post On : 22-12-2018

Comparison of hydration behavior and conformational preferences of Trp-cage mini-protein in different rigid-body water models
Authors : M. Gupta, D. Nayar, C. Chakravarty and S. Bandyopadhyay
Volumn : , Pages :
Journal : Phys. Chem. Chem. Phys., 18 0000 (2016), Year : 2016, Post On : 22-12-2018

Thermodynamics of complex structures formed between single-stranded DNA oligomers and the KH domains of the far upstream element binding protein
Authors : K. Chakraborty, S. K. Sinha and S. Bandyopadhyay
Volumn : , Pages :
Journal : J. Chem. Phys., 144 205105 (2016), Year : 2016, Post On : 22-12-2018

Effect of temperature on the low-frequency vibrational spectrum and relative structuring of hydration water around a single-stranded DNA
Authors : K. Chakraborty and S. Bandyopadhyay
Volumn : , Pages :
Journal : J. Chem. Phys, 142 015101 (2015), Year : 2015, Post On : 22-12-2018

Microscopic dynamics of water around unfolded structures of barstar at room temperature
Authors : S. Pal, K. Chakraborty, P. Khatua and S. Bandyopadhyay
Volumn : , Pages :
Journal : J. Chem. Phys, 142 055102 (2015), Year : 2015, Post On : 22-12-2018

Dynamics of water around the complex structures formed between the KH domains of far upstream element binding protein and single-stranded DNA molecules
Authors : K. Chakraborty and S. Bandyopadhyay
Volumn : , Pages :
Journal : J. Chem. Phys., 143 045106 (2015), Year : 2015, Post On : 22-12-2018

Excess entropy and crystallization in Stillinger-Weber and Lennard-Jones fluids.
Authors : D. Dhabal, A. H. Nguyen, M. Singh, P. Khatua V. Molinero, S. Bandyopadhyay and C. Chakravarty
Volumn : , Pages :
Journal : J. Chem. Phys., 143 164512 (2015), Year : 2015, Post On : 22-12-2018

Correlated conformational motions of the KH domains of Far Upstream Element binding protein complexed with single-stranded DNA oligomers
Authors : K. Chakraborty and S. Bandyopadhyay
Volumn : , Pages :
Journal : J. Phys. Chem. B 119 10998-11009 (2015), Year : 2015, Post On : 22-12-2018

In-silico studies of the properties of water hydrating a small protein
Authors : S. K. Sinha, M. Jana, K. Chakraborty and S. Bandyopadhyay
Volumn : , Pages :
Journal : J. Chem. Phys, 141 22D502 (2014), Year : 2014, Post On : 22-12-2018

Microscopic hydration properties of the ABeta(1-42) peptide monomer and the globular protein ubiquitin: A comparative molecular dynamics study
Authors : J. C. Jose, P. Khatua, N. Bansal, N. Sengupta and S. Bandyopadhyay
Volumn : , Pages :
Journal : J. Phys. Chem. B, 118 11591-11604 (2014), Year : 2014, Post On : 22-12-2018

Hydration behavior at the ice-binding surface of the antifreeze protein TmAFP
Authors : U. S. Midya and S. Bandyopadhyay
Volumn : , Pages :
Journal : J. Phys. Chem. B 118 4743-4752 (2014), Year : 2014, Post On : 22-12-2018

Correlated dynamical crossovers of the hydration layer of a single-stranded DNA oligomer
Authors : K. Chakraborty and S. Bandyopadhyay
Volumn : , Pages :
Journal : J. Phys. Chem. B 118 413-422 (2014), Year : 2014, Post On : 22-12-2018

Effects of protein conformational motions in the native form and non-uniform distribution of electrostatic interaction sites on interfacial water
Authors : S. Pal and S. Bandyopadhyay
Volumn : , Pages :
Journal : Chem. Phys., 420 35-43 (2013), Year : 2013, Post On : 22-12-2018

Computer simulation studies of biomolecular hydration
Authors : S. Pal, K. Chakraborty, U. S. Midya, P. Khatua and S. Bandyopadhyay
Volumn : , Pages :
Journal : ISRAPS Bull., 25 77-83 (2013), Year : 2013, Post On : 22-12-2018

Effects of protein conformational flexibilities and electrostatic interactions on the low-frequency vibrational spectrum of hydration water
Authors : S. Pal and S. Bandyopadhyay
Volumn : , Pages :
Journal : J. Phys. Chem. B, 117 5848-5856 (2013), Year : 2013, Post On : 22-12-2018

Molecular dynamics study of beta-cyclodextrin-phenylalanine (1:1) inclusion complex in aqueous medium
Authors : M. Jana and S. Bandyopadhyay
Volumn : , Pages :
Journal : J. Phys. Chem. B, 117 9280-9287 (2013), Year : 2013, Post On : 22-12-2018

Molecular dynamics simulation of a single-stranded DNA with heterogeneous distribution of nucleobases in aqueous medium
Authors : K. Chakraborty, S.Mantha and S. Bandyopadhyay
Volumn : , Pages :
Journal : J. Chem. Phys., 139 075103 (2013), Year : 2013, Post On : 22-12-2018

Thermal unfolding of barstar and the properties of interfacial water around the unfolded forms
Authors : S. Pal and S. Bandyopadhyay
Volumn : , Pages :
Journal : J. Chem. Phys., 139 235101 (2013), Year : 2013, Post On : 22-12-2018

Importance of protein conformational motions and electrostatic anchoring sites on the dynamics and hydrogen bond properties of hydration water
Authors : S. Pal and S. Bandyopadhyay
Volumn : , Pages :
Journal : Langmuir 29 1162-1173 (2013), Year : 2013, Post On : 22-12-2018