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51

Exploration of the Secondary Structure Specific Differential Solvation Dynamics between the Native and Molten Globule States of the Protein HP-36

Bandyopadhyay, Sanjoy, Chakraborty, Sudip, Bagchi, Biman

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 149 KB

english, 2006

52

Microscopic Hydration Properties of the Aβ 1–42 Peptide Monomer and the Globular Protein Ubiquitin: A Comparative Molecular Dynamics Study

Jose, Jaya C., Khatua, Prabir, Bansal, Nupur, Sengupta, Neelanjana, Bandyopadhyay, Sanjoy

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 531 KB

english, 2014

53

Correlated Dynamical Crossovers of the Hydration Layer of a Single-Stranded DNA Oligomer

Chakraborty, Kaushik, Bandyopadhyay, Sanjoy

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 1.37 MB

english, 2014

54

Hydration Properties of α-, β-, and γ-Cyclodextrins from Molecular Dynamics Simulations

Jana, Madhurima, Bandyopadhyay, Sanjoy

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 3.87 MB

english, 2011

55

Low-Frequency Vibrational Spectrum of Water around Cyclodextrin and Its Methyl-Substituted Derivatives

Jana, Madhurima, Bandyopadhyay, Sanjoy

Journal:

Year:

2010

Language:

english

File:

PDF, 1.17 MB

english, 2010

56

Sensitivity of Hydrogen Bond Lifetime Dynamics to the Presence of Ethanol at the Interface of a Phospholipid Bilayer †

Chanda, Jnanojjal, Chakraborty, Sudip, Bandyopadhyay, Sanjoy

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 101 KB

english, 2006

57

Low-Frequency Vibrational Spectrum of Water in the Hydration Layer of a Protein: A Molecular Dynamics Simulation Study

Chakraborty, Sudip, Sinha, Sudipta Kumar, Bandyopadhyay, Sanjoy

Journal:

Journal of Physical Chemistry B

Year:

2007

Language:

english

File:

PDF, 87 KB

english, 2007

58

Hydration Behavior at the Ice-Binding Surface of the Tenebrio molitor Antifreeze Protein

Midya, Uday Sankar, Bandyopadhyay, Sanjoy

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 4.08 MB

english, 2014

59

Importance of Protein Conformational Motions and Electrostatic Anchoring Sites on the Dynamics and Hydrogen Bond Properties of Hydration Water

Pal, Somedatta, Bandyopadhyay, Sanjoy

Journal:

Year:

2013

Language:

english

File:

PDF, 1.54 MB

english, 2013

60

Sensitivity of Polar Solvation Dynamics to the Secondary Structures of Aqueous Proteins and the Role of Surface Exposure of the Probe

Bandyopadhyay, Sanjoy, Chakraborty, Sudip, Balasubramanian, Sundaram, Bagchi, Biman

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 126 KB

english, 2005

61

Atomistic Simulation Study of the Coupled Motion of Amino Acid Residues and Water Molecules around Protein HP-36: Fluctuations at and around the Active Sites

Bandyopadhyay, Sanjoy, Chakraborty, Sudip, Balasubramanian, Sundaram, Pal, Subrata, Bagchi, Biman

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 302 KB

english, 2004

62

Conformation of confined alkanes: n-butane in zeolite Y

Bandyopadhyay, Sanjoy, Yashonath, Subramanian

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 305 KB

english, 1996

63

Polar solvation dynamics of lysozyme from molecular dynamics studies

Sinha, Sudipta Kumar, Bandyopadhyay, Sanjoy

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 509 KB

english, 2012

64

In silico studies of the properties of water hydrating a small protein

Sinha, Sudipta Kumar, Jana, Madhurima, Chakraborty, Kausik, Bandyopadhyay, Sanjoy

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 630 KB

english, 2014

65

Differential flexibility of the secondary structures of lysozyme and the structure and ordering of surrounding water molecules

Sinha, Sudipta Kumar, Bandyopadhyay, Sanjoy

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.90 MB

english, 2011

66

Correlated Conformational Motions of the KH Domains of Far Upstream Element Binding Protein Complexed with Single-Stranded DNA Oligomers

Chakraborty, Kaushik, Bandyopadhyay, Sanjoy

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 4.66 MB

english, 2015

67

Effect of the Pore Region of a Transmembrane Ion Channel on the Physical Properties of a Simple Membrane

Saiz, Leonor, Bandyopadhyay, Sanjoy, Klein, Michael L.

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 255 KB

english, 2004

68

Diffusion Anomaly in Silicalite and VPI-5 from Molecular Dynamics Simulations

Bandyopadhyay, Sanjoy, Yashonath, Subramanian

Journal:

Journal of Physical Chemistry

Year:

1995

Language:

english

File:

PDF, 648 KB

english, 1995

69

Coupling between hydration layer dynamics and unfolding kinetics of HP-36

Bandyopadhyay, Sanjoy, Chakraborty, Sudip, Bagchi, Biman

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 281 KB

english, 2006

70

Effect of temperature on the low-frequency vibrational spectrum and relative structuring of hydration water around a single-stranded DNA

Chakraborty, Kaushik, Bandyopadhyay, Sanjoy

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 734 KB

english, 2015

71

Restricted dynamics of water around a protein–carbohydrate complex: Computer simulation studies

Jana, Madhurima, Bandyopadhyay, Sanjoy

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.05 MB

english, 2012

72

Microscopic dynamics of water around unfolded structures of barstar at room temperature

Pal, Somedatta, Chakraborty, Kaushik, Khatua, Prabir, Bandyopadhyay, Sanjoy

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.17 MB

english, 2015

73

Effects of protein–DNA complex formation on the intermolecular vibrational density of states of interfacial water

Chakraborty, Kaushik, Bandyopadhyay, Sanjoy

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 3.54 MB

english, 2016

74

[IEEE 2015 IEEE 2nd International Conference on Recent Trends in Information Systems (ReTIS) - Kolkata, India (2015.7.9-2015.7.11)] 2015 IEEE 2nd International Conference on Recent Trends in Information Systems (ReTIS) - Clustering to determine predictive model for news reports analysis and econometric modeling

Mukherjee, Sanjoy Kumar, Bandyopadhyay, Sivaji

Year:

2015

Language:

english

File:

PDF, 292 KB

english, 2015

75

Effects of the Nonimmobilizer Hexafluroethane on the Model Membrane Dimyristoylphosphatidylcholine

Koubi, Laure, Tarek, Mounir, Bandyopadhyay, Sanjoy, Klein, Michael L., Scharf, Daphna

Journal:

Year:

2002

Language:

english

File:

PDF, 2.85 MB

english, 2002

76

Molecular dynamics studies of the hexagonal mesophase of sodium dodecylsulphate in aqueous solution

BANDYOPADHYAY, SANJOY, KLEIN, MICHAEL L., MARTYNA, GLENN J., TAREK, MOUNIR

Journal:

Molecular Physics

Year:

1998

Language:

english

File:

PDF, 1.93 MB

english, 1998

77

Fate of semivolatile organic compounds during heat drying of mixed primary and waste-activated sludge

Bandyopadhyay, Subrata, Bhattacharya, Sanjoy K., Farrell, Joseph B.

Journal:

Water Environment Research

Year:

1995

Language:

english

File:

PDF, 1.05 MB

english, 1995

78

Exploring ion induced folding of a single-stranded DNA oligomer from molecular simulation studies

Chakraborty, Kaushik, Khatua, Prabir, Bandyopadhyay, Sanjoy

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.40 MB

english, 2016

79

Sensitivity of Protein Glass Transition to the Choice of Water Model

Gupta, Madhulika, Chakravarty, Charusita, Bandyopadhyay, Sanjoy

Journal:

Journal of Chemical Theory and Computation

Year:

2016

Language:

english

File:

PDF, 5.47 MB

english, 2016

80

Conformational features of the Aβ 42 peptide monomer and its interaction with the surrounding solvent

Khatua, Prabir, Jose, Jaya C., Sengupta, Neelanjana, Bandyopadhyay, Sanjoy

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 5.51 MB

english, 2016

81

Comparison of hydration behavior and conformational preferences of Trp-cage mini-protein in different rigid-body water models

Gupta, Madhulika, Nayar, Divya, Chakravarty, Charusita, Bandyopadhyay, Sanjoy

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.18 MB

english, 2016

82

Dynamics of water around the complex structures formed between the KH domains of far upstream element binding protein and single-stranded DNA molecules

Chakraborty, Kaushik, Bandyopadhyay, Sanjoy

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.53 MB

english, 2015

83

Excess entropy and crystallization in Stillinger-Weber and Lennard-Jones fluids

Dhabal, Debdas, Nguyen, Andrew Huy, Singh, Murari, Khatua, Prabir, Molinero, Valeria, Bandyopadhyay, Sanjoy, Chakravarty, Charusita

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 920 KB

english, 2015

84

Thermodynamics of complex structures formed between single-stranded DNA oligomers and the KH domains of the far upstream element binding protein

Chakraborty, Kaushik, Sinha, Sudipta Kumar, Bandyopadhyay, Sanjoy

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.78 MB

english, 2016

85

Interfacial Water Arrangement in the Ice-Bound State of an Antifreeze Protein: A Molecular Dynamics Simulation Study

Midya, Uday Sankar, Bandyopadhyay, Sanjoy

Journal:

Year:

2017

Language:

english

File:

PDF, 1.95 MB

english, 2017

86

In silico studies of the early stages of aggregation of A $$\beta _{42}$$ β 42 peptides

Khatua, Prabir, Bandyopadhyay, Sanjoy

Journal:

Journal of Chemical Sciences

Year:

2017

Language:

english

File:

PDF, 2.06 MB

english, 2017

87

The sensitivity of folding free energy landscapes of trpzips to mutations in the hydrophobic core

Gupta, Madhulika, Khatua, Prabir, Chakravarty, Charusita, Bandyopadhyay, Sanjoy

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 5.82 MB

english, 2017

88

Size-dependent Conformational Features of Aβ 17-42 Protofilaments From Molecular Simulation Studies

Khatua, Prabir, Sinha, Sudipta Kumar, Bandyopadhyay, Sanjoy

Journal:

Journal of Chemical Information and Modeling

Year:

2017

Language:

english

File:

PDF, 2.24 MB

english, 2017

89

Preequilibrium neutron emission from O + Al at 7.5 MeV/nucleon and 8.8 MeV/nucleon

Paul, Sabyasachi, Sunil, C., Pal, Sanjoy, Nanal, V., Suman, V., Sahoo, G. S., Shanbhag, A., Tripathy, S. P., Bandyopadhyay, T., Nandy, M., Mohanty, A. K.

Journal:

Physical Review C

Year:

2017

Language:

english

File:

PDF, 1.14 MB

english, 2017

90

Microscopic understanding of the conformational features of a protein–DNA complex

Mondal, Sandip, Chakraborty, Kaushik, Bandyopadhyay, Sanjoy

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 4.99 MB

english, 2017

91

Operation of Kelvin Effect in the Activities of an Antifreeze Protein: A Molecular Dynamics Simulation Study

Midya, Uday Sankar, Bandyopadhyay, Sanjoy

Journal:

Journal of Physical Chemistry B

Year:

2018

Language:

english

File:

PDF, 20.31 MB

english, 2018

92

An Embedding Based IR Model for Disaster Situations

Bandyopadhyay, Ayan, Ganguly, Debasis, Mitra, Mandar, Saha, Sanjoy Kumar, Jones, Gareth J.F.

Journal:

Information Systems Frontiers

Year:

2018

Language:

english

File:

PDF, 425 KB

english, 2018

93

Dynamical crossover of water confined within the amphiphilic nanocores of aggregated amyloid β peptides

Khatua, Prabir, Bandyopadhyay, Sanjoy

Journal:

Physical Chemistry Chemical Physics

Year:

2018

Language:

english

File:

PDF, 891 KB

english, 2018

94

Understanding the microscopic origin behind heterogeneous properties of water confined in and around A β 17–42 protofilaments

Khatua, Prabir, Bandyopadhyay, Sanjoy

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 971 KB

english, 2018

95

Role of Polar and Nonpolar Groups in the Activity of Antifreeze Proteins: A Molecular Dynamics Simulation Study

Midya, Uday Sankar, Bandyopadhyay, Sanjoy

Journal:

Journal of Physical Chemistry B

Year:

2018

Language:

english

File:

PDF, 3.85 MB

english, 2018

96

Effects of Metal Ions on Aβ 42 Peptide Conformations from Molecular Simulation Studies

Khatua, Prabir, Mondal, Souvik, Bandyopadhyay, Sanjoy

Journal:

Journal of Chemical Information and Modeling

Year:

2019

Language:

english

File:

PDF, 1.01 MB

english, 2019

97

Intermolecular Dynamics of Water: Suitability of Reactive Interatomic Potential

Prasad, Dipak, Mitra, Nilanjan, Bandyopadhyay, Sanjoy

Journal:

Journal of Physical Chemistry B

Year:

2019

Language:

english

File:

PDF, 1.12 MB

english, 2019

98

Flexibility of the Binding Regions of a Protein–DNA Complex and the Structure and Ordering of Interfacial Water

Mondal, Sandip, Bandyopadhyay, Sanjoy

Journal:

Journal of Chemical Information and Modeling

Year:

2019

Language:

english

File:

PDF, 2.63 MB

english, 2019

99

Flexibility of the Binding Regions of a Protein–DNA Complex and the Structure and Ordering of Interfacial Water

Mondal, Sandip, Bandyopadhyay, Sanjoy

Journal:

Journal of Chemical Information and Modeling

Year:

2019

File:

PDF, 2.63 MB

2019

100

Microscopic Understanding of the Effect of Ionic Liquid on Protein from Molecular Simulation Studies

Ghanta, Krishna Prasad, Pal, Tamisra, Mondal, Sandip, Bandyopadhyay, Sanjoy

Journal:

Journal of Physical Chemistry B

Year:

2020

File:

PDF, 1.45 MB

2020