List of Scientific Publications

119. Aritra Mitra, Viswas Pandijothi and Sandip Paul, "Computational insight into the peptide-based inhibition of α-cobratoxin", Phys. Chem. Chem. Phys. (2024). (Accepted, In press). (link)

118. Mira Jhawar and Sandip Paul, "Unveiling the Inhibitory Effect of Magnolol in the Aggregation of Human Calcitonin (hCT): A Comprehensive In-Silico Study", ChemPhysChem (2024). (Accepted, In press). (link)

117. Sanjib Thakuria and Sandip Paul, "Salt-Bridged Mediated Conformational Dynamics in the Figure-of-Eight Knotted Ketol Acid Reductoisomerase (KARI)", Phys. Chem. Chem. Phys. 26, 24963 (2024). (link)

116. Anandita Mitra, Rituparna Roy and Sandip Paul, "Modulating the Self-Assembly of a Camptothecin Prodrug with Paclitaxel for Anticancer Combination Therapy: A Molecular Dynamics Approach", J. Phys. Chem. B. (2024). (Accepted, In press). (link)

115. Madhusmita Devi and Sandip Paul, "Comprehending the Efficacy of Whitlock's Caffeine-Pincered Molecular Tweezer on β-Amyloid Aggregation", ACS Chem. Neurosci. 15, 3202 (2024). (COVER FEATURE) (link).

114. Rimjhim Moral and Sandip Paul, ''Exploring Cyclic Peptide Nanotube Stability Across Diverse Lipid Bilayers and Unveiling Water Transport Dynamics", Langmuir 40, 882 (2024). (link)

113. Aritra Mitra and Sandip Paul, ''Pathways of hll-3717-29 Aggregation Gives Insight Into the Mechanism of α-Amyloid Formation", J. Phys. Chem. B 127, 8162 (2023). (link)

112. Rituparna Roy and Sandip Paul, ''Exploring the Curvature-Dependence of Boron Nitride Nanoparticles on the Inhibition of hIAPP Aggregation", J. Phys. Chem. B 127, 7558 (2023). (link)

111. Rabindranath Paul, Dipisha Sawoo, Madhusmita Devi and Sandip Paul, ''Inhibitory Action of Indanone-Carbamate Hybrid Molecules on the Aggregation of Aβ16−22 Peptides and Their Translocation across POPC Lipid Bilayer", J. Mol. Liq. 3383, 122028 (2023). (link)

110. Srijita Paul, Titas Kumar Mukhopadhyay and Sandip Paul, ''An In-Silico Investigation on the Selective Nanotoxicity of Two-Dimensional Materials to Hen Egg White Lysozyme Protein", ACS Applied Nano Materials 6, 6504 (2023). (link)

109. Madhusmita Devi, Rimjhim Moral, Sanjib Thakuria, Aritra Mitra and Sandip Paul, "Hydrophobic Deep Eutectic Solvents as Greener Substitutes for Conventional Extraction Media: Examples and Techniques", ACS Omega 8, 9702 (2023).(Invited Review Article)(link).

108. Rimjhim Moral and Sandip Paul, ''Inﬂuence of Salt and Temperature on the Self-assembly of Cyclic Peptides in Water: A Molecular Dynamics Study", Phys. Chem. Chem. Phys. 25, 5406 (2023).(PCCP HOT ARTICLE, 2023) (link)

107. Aritra Mitra, Krishna Gopal Chattaraj and Sandip Paul, ''Elucidating the Hydrotropic Mechanism of the Antagonistic Salt PPh4Cl", J. Phys. Chem. B 127, 996 (2023). (link)

106. Rituparna Roy and Sandip Paul, ''Illustrating the Role of Small Molecules Derived from Natural Resources on Amyloid Peptides", J. Phys. Chem. B 127, 600 (2023). (Perspective Article) (link)

105. Rituparna Roy and Sandip Paul, ''Disparate Effect of Hybrid Peptidomimetics Containing Isomers of Aminobenzoic Acid on hIAPP Aggregation", J. Phys. Chem. B 126, 10427 (2022). (link)

104. Saikat Pal, Rituparna Roy and Sandip Paul, "Deciphering the Role of ATP on PHF6 Aggregation", J. Phys. Chem. B 126, 4761 (2022). (link)

103. Triasha Pal, Rabindranath Paul and Sandip Paul, "Phenylpropanoids on the Inhibition of β-Amyloid Aggregation and the Movement of these Molecules through the POPC Lipid Bilayer", Langmuir 38, 7775 (2022). (link)

102. Madhusmita Devi and Sandip Paul, ''Chaotropic Effect of Ions on the Self-Aggregating Propensity of Whitlock’s Molecular Tweezer", Phys. Chem. Chem. Phys. 24, 14452 (2022). (link)

101. Rabindranath Paul, Siddhartha Bera, Madhusmita Devi and Sandip Paul, ''Inhibition of Aβ16−22 Peptide Aggregation by Small Molecules and their Permeation through POPC Lipid Bilayer: An Insight from Molecular Dynamics Simulation Study", J. Chem. Inf. Model. (2022). (link)

100. Rituparna Roy and Sandip Paul, ''hIAPP-Amyloid-Core derived D-peptide prevents hIAPP Aggregation and destabilizes its Protofibrils", J. Phys. Chem. B 126, 822 (2022). (link)

99. Krishna Gopal Chattaraj and Sandip Paul, ''Appraising the Potency of Small Molecule Inhibitors and Their Graphene Surface-Mediated Organizational Attributes on Uric Acid-Melamine Clusters", Phys. Chem. Chem. Phys. 24, 1029 (2022). (link)

98. Srijita Paul and Sandip Paul, ''Molecular Insights into the Urea-Choline-O-sulfate Interactions in Aqueous Solution", Phys. Chem. Chem. Phys. 23, 25317 (2021). (link)

97. Rabindranath Paul, Aritra Mitra and Sandip Paul, ''A Computational Approach on the Stereoselective Binding of Peptides from Aqueous Medium with Endo-Functionalized Molecular Tubes", Phys. Chem. Chem. Phys. 23, 22703 (2021). (link)

96. Rabindranath Paul and Sandip Paul, ''Translocation of Endo-Functionalized Molecular Tubes Across Different Lipid Bilayers: Atomistic Molecular Dynamics Simulation Study", Langmuir 37, 10376 (2021). (link)

95. Rabindranath Paul and Sandip Paul, ''Exploration on the Drug Solubility Enhancement in Aqueous Medium with the Help of Endo-Functionalized Molecular Tubes: A Computational Approach", Phys. Chem. Chem. Phys. 23, 18999 (2021). (link)

94. Krishna Gopal Chattaraj and Sandip Paul, ''The Underlying Mechanisms of Allopurinol in Eliminating Renal Toxicity Induced by the Melamine-Uric Acid Complex Formation: A Computational Study", Chemical Research in Toxicology 34, 2054 (2021).(link)

93. Rabindranath Paul, Aritra Mitra and Sandip Paul, ''Phase Separation Property of a Hydrophobic Deep Eutectic Solvent-Water Binary Mixture: A Molecular Dynamics Simulation Study", J. Chem. Phys. 154, 244504 (2021).(link)

92. Krishna Gopal Chattaraj and Sandip Paul, ''The Miscibility and Solubility of Uric Acid and Vitamin C in the Solution Phase and Their Structural Alignment in the Solid-Liquid Interface", Phys. Chem. Chem. Phys. 23, 15169 (2021).(link)

91. Srijita Paul and Sandip Paul, ''Controlling the Self-assembly of Human Calcitonin: A Theoretical Approach from Molecular Dynamics Simulation", Phys. Chem. Chem. Phys. 23, 14496 (2021).(link)

90. Saikat Pal and Sandip Paul, ''Theoretical Investigation of Conformational Deviation of the Human Parallel Telomeric G-quadruplex DNA in Presence of Different Salt Concentrations and Temperatures Under Confinement", Phys. Chem. Chem. Phys. 23, 14372 (2021).(link)

89. Rabindranath Paul and Sandip Paul, ''Prediction of Local Thermodynamics of Water In and Around Endo-Functionalized Molecular Tube Receptors: An Approach Using Grid Inhomogeneous Solvation Theory", J. Mol. Liq. 334, 116338 (2021).(link)

88. Rabindranath Paul, Krishna Gopal Chattaraj and Sandip Paul, ''The Role of Hydrotropes on Sparingly Soluble Drug Solubilization: An Insight from Molecular Dynamics Simulation and Experimental Perspectives", Langmuir 37, 4745 (2021).(Feature Article).(link)

87. Rituparna Roy and Sandip Paul, ''Potential of ATP towards Prevention of hIAPP Oligomerization and Destabilization of hIAPP Protofibrils: an In Silico Perspective", J. Phys. Chem. B 125, 3510 (2021).(link)

86. Saikat Pal and Sandip Paul, ''An in Silico Investigation of Binding Modes and Pathway of APTO-253 on c-KIT G-Quadruplex DNA", Phys. Chem. Chem. Phys. 23, 3361 (2021).(link)

85. Rituparna Roy and Sandip Paul, ''Theoretical Investigation of the Inhibitory Mechanism of Norepinephrine on hIAPP Amyloid Aggregation and the Destabilization of Protofibrils", J. Phys. Chem. B 124, 10913 (2020).(link)

84. Srijita Paul, Komal Kumari and Sandip Paul, ''Molecular Insight into the Effects of Enhanced Hydrophobicity on the Amyloid-like Aggregation", J. Phys. Chem. B 124, 10048 (2020).(link)

83. Krishna Gopal Chattaraj and Sandip Paul, ''An Investigation on the Mechanisms of Synchronous Interaction of K3Cit with Melamine and Uric Acid That Avoids the Formation of Large Clusters", J. Chem. Inf. Model. 60, 4827 (2020).(link)

82. Saikat Pal, Rituparna Roy and Sandip Paul, ''Potential of Natural Deep Eutectic Solvent, Glyceline, in the Thermal Stability of the Trp-Cage Mini-Protein", J. Phys. Chem. B 124, 7598 (2020).(link)

81. Srijita Paul and Sandip Paul, ''In Silico Study of Osmolytic Effects of Choline-O-sulfate on Urea-Induced Unwinding of Trp-cage Miniprotein : An Atomistic View from Replica Exchange Molecular Dynamics Simulation ", Archives of Biochemistry and Biophysics 695, 108484 (2020).(link)

80. Rajat Subhra Giri, Saikat Pal, Sayanta Roy, Gobinda Dolai, Srinivasa Rao Manne, Sandip Paul and Bhubaneswar Mandal, ''Nanostructures from Protected L/L and D/L Amino Acid Containing Dipeptides", Peptide Science e24176 (2020).(link)

79. Saikat Pal and Sandip Paul, ''Understanding The Role of Reline, a Natural DES, on Temperature-Induced Conformational Changes of C-Kit G-Quadruplex DNA: A Molecular Dynamics Study", J. Phys. Chem. B 124, 3123 (2020).(link)

78. Srijita Paul and Sandip Paul, ''The Conformational Stability of Terminal Helices of λ-repressor Protein in Aqueous Dodine and Choline-O-sulfate Solutions", Int. J. Biol. Macromol. 154, 1332 (2020).(link)

77. Krishna Gopal Chattaraj, Rabindranath Paul and Sandip Paul, ''Switching of Self-Assembly to Solvent-Assisted Assembly of Molecular Motor: Unveiling the Mechanisms of Dynamic Control on Solvent Exchange", Langmuir 36, 1773 (2020).(link)

76. Rabindranath Paul and Sandip Paul, ''Tuning the Trapping of Epoxides by Endo-Functionalized Molecular Tubes in Aqueous Medium: A Computational Study", J. Phys. Chem. C 124, 3589 (2020).(link)

75. Rabindranath Paul and Sandip Paul, ''Computational Study of Encapsulation of Polyaromatic Hydrocarbons by Endo-Functionalized Receptors in Non-Polar Medium", J. Chem. Inf. Model. 60, 212 (2020).(link)

74. Saikat Pal and Sandip Paul, ''ATP Controls the Aggregation of Aβ16−22 Peptides", J. Phys. Chem. B 124, 210 (2020).(link)

73. Krishna Gopal Chattaraj and Sandip Paul, ''Inclusion of Theobromine Modifies Uric Acid Aggregation with Possible Changes in Melamine-Uric Acid Clusters Responsible for Kidney Stones", J. Phys. Chem. B 123, 10483 (2019).(link)

72. Papu Kumar Naik, Sandip Paul and Tamal Banerjee, ''Thermal Hydrogenation and Degradation of Quinoline from Reactive Force Field Simulations", Chem. Select 4, 12996 (2019).(link)

71. Krishna Gopal Chattaraj and Sandip Paul, ''Underlying Mechanistic Insights of the Structural Properties of Melamine and Uric Acid Complex on the Compositional Variation at Ambient Conditions by Employing Classical Molecular Dynamics Simulation ", J. Chem. Phys. 151, 054503 (2019).(link)

70. Saikat Pal and Sandip Paul,''Effect of Hydrated And Non-Hydrated Choline Chloride-Urea Deep Eutectic Solvent (Reline) on Thrombin Binding G-Quadruplex Aptamer (TBA): A Classical Molecular Dynamics Simulation Study", J. Phys. Chem. C 123, 11686 (2019).(link)

69. Srijita Paul and Sandip Paul,''Molecular Dynamics Simulation Study on The Inhibitory Effects of Choline-O-sulfate on hIAPP Protofibrilation", J. Comp. Chem. 40, 1957 (2019).(link)

68. Srijita Paul and Sandip Paul,''Inhibitory Effect of Choline-O-Sulfate on the Aβ16−22 Peptide Aggregation : A Molecular Dynamics Simulation Study", J. Phys. Chem. B 123, 3475 (2019).(link)

67. Rabindranath Paul and Sandip Paul,''How Does the Complexation Ability Between Host Endo-Functionalized Molecular Tube and Strongly Hydrophilic Guest Molecules in Water Depend on Guest Concentration?", J. Mol. Liq. 283, 507 (2019).(link)

66. Papu Kumar Naik, Sandip Paul and Tamal Banerjee, ''Physiochemical Properties and Molecular Dynamics Simulations of Phosphonium and Ammonium based Deep Eutectic Solvents", J. Soln. Chem. 48, 1046 (2019).(link)

65. Krishna Gopal Chattaraj and Sandip Paul, ''How Does Temperature Modulate the Structural Properties of Aggregated Melamine in Aqueous Solution - An Answer From Classical Molecular Dynamics Simulation", J. Chem. Phys. 150, 064501 (2019).(link)

64. Saikat Pal and Sandip Paul, ''Conformational Deviation of Thrombin Binding G-quadruplex Aptamer (TBA) in Presence of Divalent Cation Sr2+: A Classical Molecular Dynamics Simulation Study", Int. J. Biol. Macromol. 121, 350 (2019).(link)

63. Srijita Paul and Sandip Paul, ''How Does Aqueous Choline-O-Sulfate Solution Nullify the Action of Urea in Protein Denaturation?", J. Chem. Inf. Model. 58, 1858 (2018).(link)

62. Krishna Gopal Chattaraj and Sandip Paul, ''Understanding of Structure and Thermodynamics of Melamine Association in Aqueous Solution From a Unified Theoretical and Experimental Approach", J. Chem. Inf. Model. 58, 1610 (2018).(link)

61. Rabindranath Paul and Sandip Paul, ''Synergistic Host-Guest Hydrophobic and Hydrogen Bonding Interactions in the Complexation Between Endo-Functionalized Molecular Tube and Strongly Hydrophilic Guest Molecules in Aqueous Solution", Phys. Chem. Chem. Phys. 20, 16540 (2018).(link)

60. Papu Kumar Naik, Mood Mohan, Tamal Banerjee, Sandip Paul and V. V. Goud, ''Molecular Dynamic Simulations for the Extraction of Quinoline from Heptane in the Presence of Low Cost Phosphonium Based Deep Eutectic Solvent", J. Phys. Chem. B 122, 4006 (2018). (link)

59. Gargi Borgohain and Sandip Paul, ''Atomistic Level Understanding of the Stabilization of Protein Trp Cage in Denaturing and Mixed Osmolyte Solutions", Comput. Theo. Chem. 1131, 78 (2018). (link)

58. Shubhadip Das and Sandip Paul, ''Exploring the binding sites and binding mechanism for hydrotrope encapsulated griseofulvin drug on γ-tubulin protein", PLoS One 13, e0190209 (2018). (link)

57. Gargi Borgohain and Sandip Paul,''The Opposing Effect of Urea and High Pressure on the Conformation of the Protein β-Hairpin: A Molecular Dynamics Simulation Study", J. Mol. Liq. 251, 378 (2018). (link)

56. Shubhadip Das and Sandip Paul, ''Hydrotropic Solubilization of Sparingly Soluble Riboflavin Drug Molecule in Aqueous Nicotinamide Solution", J. Phys. Chem. B 121, 8774 (2017). (link)

55. Papu Kumar Naik, Sandip Paul and Tamal Banerjee, ''Liquid-Liquid Equilibria Measurements for the Extraction of Poly Aromatic Nitrogen Hydrocarbons With a Low Cost Deep Eutectic Solvent: Experimental and Theoretical Insights",J. Mol. Liq. 243, 542 (2017). (link)

54. Mood Mohan, Papu Kumar Naik, Tamal Banerjee, Vaibhav V. Goud and Sandip Paul, ''Solubility of Glucose in Tetrabutylammonium Bromide Based Deep Eutectic Solvents: Experimental and Molecular Dynamics Simulations",Fluid Phase Equilibria 448, 168 (2017). (link)

53. Shubhadip Das and Sandip Paul, ''The Hydrotropic Action of Cationic Hydrotrope p-Toluidinium Chloride on the Solubility of Sparingly Soluble Gliclazide Drug Molecule: A Computational Study", J. Chem. Inf. Model. 57, 1461 (2017). (link)

52. Gargi Borgohain, Bikramaditya Mandal and Sandip Paul,''Molecular dynamics approach to understand the denaturing effect of millimolar concentration of dodine on λ-repressor and counteraction by trehalose", Phys. Chem. Chem. Phys. 19, 13160 (2017).(link)

51. Gargi Borgohain and Sandip Paul,''Folding/Unfolding of Protein Trp Cage Conformation in Aqueous Osmolyte Solutions Under Polar Confinement", J. Mol. Liq. 233, 431 (2017). (link)

50. Gargi Borgohain and Sandip Paul,''Effect of Non Polar Confinement on Protein Trp Cage Conformation in Aqueous Osmolyte Solutions", J. Mol. Liq. 231, 174 (2017). (link)

49. Gargi Borgohain and Sandip Paul,''Temperature Mediated Switching of Protectant-Denaturant Behavior of Trimethylamine-N-Oxide and Consequences on Protein Stability from a Replica Exchange Molecular Dynamics Simulation Study", Molecular Simulation 43, 52 (2017). (link)

48. Bhanita Sharma and Sandip Paul,''Role of caffeine as an inhibitor in aggregation of hydrophobic molecules: A molecular dynamics simulation study", J. Mol. Liq. 224, 930 (2016). (link)

47. Bhanita Sharma, Sourav Kalita, Ashim Paul, Bhubaneswar Mandal and Sandip Paul,''The Role of Caffeine as an Inhibitor in Aggregation of Amyloid Forming Peptides: A Unified Molecular Dynamics Simulation and Experimental Study", RSC Advances 6, 78548 (2016). (link)

46. Bhanita Sharma and Sandip Paul,''Action of Caffeine as an Amyloid Inhibitor in the Aggregation of Aβ16-22 Peptide", J. Phys. Chem. B 120, 9019 (2016). (link)

45. Pappu Kumar Nayak, Pyarimohan Dehury, Sandip Paul and Tamal Banerjee, ''Evaluation of Deep Eutectic Solvent for the Selective Extraction of Toluene and Quinoline at T=308.15 K and p=1 bar", Fluid Phase Equilibria 423, 146 (2016). (link)

44. Sandip Paul, ''Can Trimethylamine-N-Oxide Act to Influence the Self-Aggregation of tert-Butyl Alcohol?", Mol. Phys. 114, 2098 (2016). (link)

43. Gargi Borgohain, Nirnoy Dan and Sandip Paul, ''Use of Molecular Dynamics Simulation to Explore Structural Facets of Human Prion Protein with Pathogenic Mutations", Biophys. Chem. 213, 32 (2016). (link)

42. Shubhadip Das and Sandip Paul, ''Computer Simulation Studies of the Mechanism of Hydrotrope Assisted Solubilization of Sparingly Soluble Drug Molecule", J. Phys. Chem. B 120, 3540 (2016). (link)

41. Gargi Borgohain and Sandip Paul, ''Model Dependency of TMAO's Counteracting Effect Against Action of Urea: Kast Model versus Osmotic Model of TMAO", J. Phys. Chem. B 120, 2352 (2016). (link)

40. Shubhadip Das and Sandip Paul, ''Mechanism of Hydrotropic Action of Hydrotrope Sodium Cumene Sulfonate on the Solubility of Di-t-Butyl-Methane: A Molecular Dynamics Simulation Study", J. Phys. Chem. B 120, 173 (2016). (link)

39. Asim Paul, Bhanita Sharma, Tanmay Mondal, Kishore Thalluri, Sandip Paul and Bhubaneswar Mandal, "Amyloid β Derived Switch-Peptides as a Tool for Investigation of Early Events of Aggregation: A Combined Experimental and Theoretical Approach", Med. Chem. Commun. 7, 311 (2016). (link)

38. Subrata Paul and Sandip Paul, "Influence of Temperature on the Solvation of N-methylacetamide in Aqueous Trehalose Solution: A Molecular Dynamics Simulation Study", J. Mol. Liq. 211, 986 (2015). (link)

37. Subrata Paul and Sandip Paul, "Investigating the Counteracting Effect of Trehalose on Urea Induced Protein Denaturation Using Molecular Dynamics Simulation", J. Phys. Chem. B 119, 10975 (2015). (This article is part of the Prof. Biman Bagchi Festschrift special issue.) (link)

36. Subrata Paul and Sandip Paul, "Exploring the Counteracting Mechanism of Trehalose on Urea Conferred Protein Denaturation: A Molecular Dynamics Simulation Study", J. Phys. Chem. B 119, 9820 (2015). (link)

35. Bhanita Sharma and Sandip Paul, "Understanding the Role of Temperature Change and the Presence of NaCl salts on Caffeine Aggregation in Aqueous Solution: From Structural and Thermodynamics Point of View", J. Phys. Chem. B 119, 6421 (2015). (link)

34. Shubhadip Das and Sandip Paul, ''Exploring Molecular Insights of Aggregation of Hydrotrope Sodium Cumene Sulfonate in Aqueous Solution: A Molecular Dynamics Simulation Study", J. Phys. Chem. B 119, 3142 (2015). (link)

33. Subrata Paul and Sandip Paul, ''Molecular Insights into the Role of Aqueous Trehalose Solution on Temperature Induced Protein Denaturation", J. Phys. Chem. B 119, 1598 (2015). (link)

32. Subrata Paul and Sandip Paul, ''Effects of the temperature and trehalose concentration on the hydrophobic interactions of a small nonpolar neopentane solute: a molecular dynamics simulation study", RSC Advances 4, 34267 (2014). (link)

31. Subrata Paul and Sandip Paul, ''Trehalose Induced Modifications in the Solvation Pattern of N-methylacetamide ", J. Phys. Chem. B 118, 1052 (2014).(link)

30. Bhanita Sharma and Sandip Paul, ''Effects of Dilute Aqueous NaCl Solution on Caffeine Aggregation", J. Chem. Phys. 139, 194504 (2013).(link)

29. Sandip Paul, ''Visiting Pressure and Osmolyte's Effect on Protein Solvation", Indian Society for Radiation and Photochemical Sciences (ISRAPS) 25, 92 (2013). (link) (This invited article is dedicated to Dr. Swapan K. Ghosh of BARC, India in appreciation of his valuable contribution to the Theoretical Chemistry.)

28. Subrata Paul and Sandip Paul, ''The influence of trehalose on hydrophobic interactions of small nonpolar solute: A molecular dynamics simulation study ", J. Chem. Phys. 139, 044508 (2013).(link)

27. Rahul Sarma and Sandip Paul, ''Trimethylamine-N-oxide's Effect on Polypeptide Solvation at High Pressure : A Molecular Dynamics Simulation Study", J. Phys. Chem. B 117, 9056 (2013). (link)

26. Rahul Sarma and Sandip Paul, ''Interactions of a S-peptide Analogue in Aqueous Urea and Trimethylamine-N-oxide Solutions: A Molecular Dynamics Simulation Study", J. Chem. Phys. 139, 034504 (2013). (link)

25. Rahul Sarma and Sandip Paul, ''Exploring the Molecular Mechanism of Trimethylamine-N-oxide's Ability to Counteract the Protein Denaturing Effects of Urea", J. Phys. Chem. B 117, 5691 (2013). (link)

24. Rahul Sarma and Sandip Paul, ''Crucial importance of water structure modification on trimethylamine-N-oxide counteracting effect of high pressure", J. Phys. Chem. B 117, 677 (2013). (link)

23. Rahul Sarma and Sandip Paul, ''Effect of pressure on the solution structure and hydrogen bond properties of aqueous N-methylacetamide", Chem. Phys. 407, 115 (2012). (link)

22. Rahul Sarma and Sandip Paul, ''Effect of trimethylamine-N-oxide on pressure-induced dissolution of hydrophobic solute", J. Chem. Phys. 137, 114503 (2012). (link)

21. Rahul Sarma and Sandip Paul, ''The Effect of Aqueous Solutions of Trimethylamine-N-oxide on Pressure Induced Modifications of Hydrophobic Interactions", J. Chem. Phys. 137, 094502 (2012). (link)

20. Sandip Paul and G. N. Patey, ''Influence of Urea on tert-Butyl Alcohol Aggregation in Aqueous Solutions", J. Phys. Chem. B 116, 4991 (2012). (link)

19. Rahul Sarma and Sandip Paul, ''The Effect of Pressure on the Hydration Structure Around Hydrophobic Solute: A Molecular Dynamics Simulation Study", J. Chem. Phys. 136, 114510 (2012).(link). (This paper is selected for the April 1, 2012 issue of Virtual Journal of Biological Physics Research. The Virtual Journal is published by the American Physical Society and the American Institute of Physics in cooperation with numerous other societies and publishers.)

18. Rahul Sarma and Sandip Paul, ''Association of Small Hydrophobic Solute in Presence of Osmolytes Urea and Trimethylamine-N-Oxide", J. Phys. Chem. B, 116, 2831 (2012). (link)

17. Rahul Sarma and Sandip Paul, ''Hydrophobic Interactions in presence of osmolytes urea and trimethylamine-N-Oxide", J. Chem. Phys., 135, 174501 (2011) (link). (This paper is selected for the November 15, 2011 issue of Virtual Journal of Biological Physics Research. The Virtual Journal is published by the American Physical Society and the American Institute of Physics in cooperation with numerous other societies and publishers.)

16. Sandip Paul, "Liquid-Vapour Interfaces of Aqueous Trimethylamine-N-oxide Solutions: A Molecular Dynamics Simulation Study", Chem. Phys., 368, 7 (2010). (link)

15. Nikhil Biyani and Sandip Paul, ''Hydrophobic Interactions in Water- Trimethylamine-N-Oxide Solutions: The Effects of Pressure", J. Phys. Chem. B, 113, 9644 (2009).(link)

14. Sandip Paul and G. N. Patey, ''Hydrophobic Interactions in Urea-Trimethylamine-N-Oxide Solutions'', J. Phys. Chem. B, 112, 11106 (2008).(link)

13. Sandip Paul and Amalendu Chandra, ''Structure and dynamics of water at liquid-vapour interfaces covered by surfactant monolayers of neutral stearic acid and charged stearate ions'', J. Mol. Liq., 140, 33 (2008).(link)

12. Sandip Paul and Amalendu Chandra, ''Structure, dynamics and the free energy of solute adsorption at liquid-vapor interfaces of simple dipolar systems: Molecular dynamics results for pure and mixed Stockmayer fluids'', J. Phys. Chem. B, 111, 12500 (2007).(link)

11. Sandip Paul and G. N. Patey, ''Effect of Urea on The Denaturation of Hydrophobic Interactions And Its Counteraction by Trimethylamine-N oxide'', J. Phys. Chem. B ,111, 7932 (2007). (link)

10. Sandip Paul and G. N. Patey, ''Structure and interaction in aqueous urea trimethylamine-N-oxide solutions'', J. Am. Chem. Soc.,129, 4476 (2007). (link)

9. Sandip Paul and G. N. Patey, ''Why tert-butyl alcohol associates in aqueous solution but trimethylamine-N-oxide does not'', J. Phys. Chem. B, 110, 10514 (2006). (link)

8. Sandip Paul and Amalendu Chandra, ''Hydrogen bond properties and dynamics of liquid-vapor interfaces of aqueous methanol solutions'', J. Chem. Theo. Comp., 1, 1221 (2005). (link)

7. Sandip Paul and Amalendu Chandra, ''Liquid-vapor interfaces of water acetonitrile mixtures of varying composition'', J. Chem. Phys., 123, 184706 (2005). (link)

6. Sandip Paul and Amalendu Chandra, ''Molecular dynamics study of the liquid-vapor interface of acetonitrile: Equilibrium and dynamical properties'', J. Phys. Chem. B, 109, 20558 (2005). (link)

5. Sandip Paul and Amalendu Chandra, ''Liquid-vapor interfacial properties of water-ammonia mixtures: Dependence on ammoniaconcentration'', J. Chem. Phys., 123, 174712 (2005).(link)

4. Sandip Paul and Amalendu Chandra, ''Binding of hydrogen bonding solutes at liquid-vapor interfaces of molecular fluids'', Chem. Phys. Lett., 400, 515 (2004). (link)

3. Sandip Paul and Amalendu Chandra, ''Hydrogen bond dynamics at vapor-water and metal-water interfaces'', Chem. Phys. Lett., 386, 218 (2004).(link)

2. Sandip Paul and Amalendu Chandra, ''Liquid-vapor interfaces of simple electrolyte solutions: Molecular dynamics results for ions in Stockmayer fluids'', J. Phys. Chem. B, 107, 12705 (2003). (link)

1. Sandip Paul and Amalendu Chandra, ''Dynamics of water molecules at liquid-vapor interfaces of aqueous ionic solutions: effects of ion concentration'', Chem. Phys. Lett., 373, 87 (2003). (link)