Effect of protein-DNA complex formation on the intermolecular vibrational density of states of interfacial water
Authors: K. Chakraborty and S. Bandyopadhyay
Journal: Phys. Chem. Chem. Phys., 18 7780-7788 (2016) Year: 2016 Posted: 22 Dec 2018
Exploring ion induced folding of a single-stranded DNA oligomer from molecular simulation studies
Authors: K. Chakraborty, P. Khatua and S. Bandyopadhyay
Journal: Phys. Chem. Chem. Phys., 18 15899-15910 (2016) Year: 2016 Posted: 22 Dec 2018
Sensitivity of protein glass transition to the choice of water model
Authors: M. Gupta, C. Chakravarty and S. Bandyopadhyay
Journal: J. Chem. Theory and Comput., 12 0000 (2016) Year: 2016 Posted: 22 Dec 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
Journal: Phys. Chem. Chem. Phys., 18 30144-30159 (2016) Year: 2016 Posted: 22 Dec 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
Journal: Phys. Chem. Chem. Phys., 18 0000 (2016) Year: 2016 Posted: 22 Dec 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
Journal: J. Chem. Phys., 144 205105 (2016) Year: 2016 Posted: 22 Dec 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
Journal: J. Chem. Phys, 142 015101 (2015) Year: 2015 Posted: 22 Dec 2018
Microscopic dynamics of water around unfolded structures of barstar at room temperature
Authors: S. Pal, K. Chakraborty, P. Khatua and S. Bandyopadhyay
Journal: J. Chem. Phys, 142 055102 (2015) Year: 2015 Posted: 22 Dec 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
Journal: J. Chem. Phys., 143 045106 (2015) Year: 2015 Posted: 22 Dec 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
Journal: J. Chem. Phys., 143 164512 (2015) Year: 2015 Posted: 22 Dec 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
Journal: J. Phys. Chem. B 119 10998-11009 (2015) Year: 2015 Posted: 22 Dec 2018
In-silico studies of the properties of water hydrating a small protein
Authors: S. K. Sinha, M. Jana, K. Chakraborty and S. Bandyopadhyay
Journal: J. Chem. Phys, 141 22D502 (2014) Year: 2014 Posted: 22 Dec 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
Journal: J. Phys. Chem. B, 118 11591-11604 (2014) Year: 2014 Posted: 22 Dec 2018
Hydration behavior at the ice-binding surface of the antifreeze protein TmAFP
Authors: U. S. Midya and S. Bandyopadhyay
Journal: J. Phys. Chem. B 118 4743-4752 (2014) Year: 2014 Posted: 22 Dec 2018
Correlated dynamical crossovers of the hydration layer of a single-stranded DNA oligomer
Authors: K. Chakraborty and S. Bandyopadhyay
Journal: J. Phys. Chem. B 118 413-422 (2014) Year: 2014 Posted: 22 Dec 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
Journal: Chem. Phys., 420 35-43 (2013) Year: 2013 Posted: 22 Dec 2018
Computer simulation studies of biomolecular hydration
Authors: S. Pal, K. Chakraborty, U. S. Midya, P. Khatua and S. Bandyopadhyay
Journal: ISRAPS Bull., 25 77-83 (2013) Year: 2013 Posted: 22 Dec 2018
Effects of protein conformational flexibilities and electrostatic interactions on the low-frequency vibrational spectrum of hydration water
Authors: S. Pal and S. Bandyopadhyay
Journal: J. Phys. Chem. B, 117 5848-5856 (2013) Year: 2013 Posted: 22 Dec 2018
Molecular dynamics study of beta-cyclodextrin-phenylalanine (1:1) inclusion complex in aqueous medium
Authors: M. Jana and S. Bandyopadhyay
Journal: J. Phys. Chem. B, 117 9280-9287 (2013) Year: 2013 Posted: 22 Dec 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
Journal: J. Chem. Phys., 139 075103 (2013) Year: 2013 Posted: 22 Dec 2018
Thermal unfolding of barstar and the properties of interfacial water around the unfolded forms
Authors: S. Pal and S. Bandyopadhyay
Journal: J. Chem. Phys., 139 235101 (2013) Year: 2013 Posted: 22 Dec 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
Journal: Langmuir 29 1162-1173 (2013) Year: 2013 Posted: 22 Dec 2018
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