| Synergistic host–guest hydrophobic and hydrogen bonding interactions in the complexation between endo-functionalized molecular tube and strongly hydrophilic guest molecules in … R Paul, S Paul Physical Chemistry Chemical Physics 20 (24), 16540-16550, 2018 | 29 | 2018 |
| Role of Hydrotropes in Sparingly Soluble Drug Solubilization: Insight from a Molecular Dynamics Simulation and Experimental Perspectives R Paul, KG Chattaraj, S Paul Langmuir 37 (16), 4745-4762, 2021 | 18 | 2021 |
| Phase separation property of a hydrophobic deep eutectic solvent–water binary mixture: A molecular dynamics simulation study R Paul, A Mitra, S Paul The Journal of Chemical Physics 154 (24), 244504, 2021 | 17 | 2021 |
| How does the complexation ability between host endo-functionalized molecular tube and strongly hydrophilic guest molecules in water depend on guest concentration? R Paul, S Paul Journal of Molecular Liquids 283, 507-514, 2019 | 12 | 2019 |
| Switching of self-assembly to solvent-assisted assembly of molecular motor: unveiling the mechanisms of dynamic control on solvent exchange KG Chattaraj, R Paul, S Paul Langmuir 36 (7), 1773-1792, 2020 | 10 | 2020 |
| Computational Study of Encapsulation of Polyaromatic Hydrocarbons by Endo-Functionalized Receptors in Non-Polar Medium R Paul, S Paul Journal of Chemical Information and Modeling, 2019 | 10 | 2019 |
| Exploration on the drug solubility enhancement in aqueous medium with the help of endo-functionalized molecular tubes: a computational approach R Paul, S Paul Physical Chemistry Chemical Physics 23 (34), 18999-19010, 2021 | 9 | 2021 |
| Tuning the Trapping of Epoxides by Endo-Functionalized Molecular Tubes in an Aqueous Medium: A Computational Study R Paul, S Paul The Journal of Physical Chemistry C 124 (6), 3589-3600, 2020 | 9 | 2020 |
| Translocation of Endo-Functionalized Molecular Tubes across Different Lipid Bilayers: Atomistic Molecular Dynamics Simulation Study R Paul, S Paul Langmuir 37 (34), 10376-10387, 2021 | 5 | 2021 |
| Phenylpropanoids on the Inhibition of β-Amyloid Aggregation and the Movement of These Molecules through the POPC Lipid Bilayer T Pal, R Paul, S Paul Langmuir 38 (25), 7775-7790, 2022 | 3 | 2022 |
| Inhibition of Aβ16–22 Peptide Aggregation by Small Molecules and Their Permeation through POPC Lipid Bilayer: Insight from Molecular Dynamics Simulation Study R Paul, S Bera, M Devi, S Paul Journal of Chemical Information and Modeling 62 (21), 5193-5207, 2022 | 3 | 2022 |
| Prediction of local thermodynamics of water in and around endo-functionalized molecular tube receptors: An approach using grid inhomogeneous solvation theory R Paul, S Paul Journal of Molecular Liquids 334, 116338, 2021 | 3 | 2021 |
| A computational approach on the stereoselective binding of peptides from aqueous medium with endo-functionalized molecular tubes R Paul, A Mitra, S Paul Physical Chemistry Chemical Physics 23 (39), 22703-22717, 2021 | 1 | 2021 |
| Inhibitory Action of Indanone-Carbamate Hybrid Molecules on the Aggregation of Aβ16− 22 Peptides and Their Translocation across POPC Lipid Bilayer R Paul, D Sawoo, M Devi, S Paul Journal of Molecular Liquids, 122028, 2023 | | 2023 |
| A computational study on the molecular recognition in water using endo-functionalized molecular tubes and uses of these receptors as drug delivery vehicles R Paul IIT Guwahati, 2021 | | 2021 |
Sandip PaulProfessor, IIT GuwahatiVerified email at iitg.ernet.in
