| Quantitative and qualitative evaluation of adsorption/desorption of bovine serum albumin on hydrophilic and hydrophobic surfaces YL Jeyachandran, E Mielczarski, B Rai, JA Mielczarski Langmuir 25 (19), 11614-11620, 2009 | 366 | 2009 |
| Efficiency of blocking of non-specific interaction of different proteins by BSA adsorbed on hydrophobic and hydrophilic surfaces YL Jeyachandran, JA Mielczarski, E Mielczarski, B Rai Journal of colloid and interface science 341 (1), 136-142, 2010 | 274 | 2010 |
| A molecular dynamics study of the interaction of oleate and dodecylammonium chloride surfactants with complex aluminosilicate minerals B Rai, P Sathish, J Tanwar, KS Moon, DW Fuerstenau Journal of colloid and interface science 362 (2), 510-516, 2011 | 210 | 2011 |
| Effect of size and surface charge of gold nanoparticles on their skin permeability: a molecular dynamics study R Gupta, B Rai Scientific reports 7 (1), 45292, 2017 | 201 | 2017 |
| Amino acids as copper corrosion inhibitors: A density functional theory approach D Kumar, N Jain, V Jain, B Rai Applied Surface Science 514, 145905, 2020 | 161 | 2020 |
| Molecular modeling of interactions of diphosphonic acid based surfactants with calcium minerals Pradip, B Rai, TK Rao, S Krishnamurthy, R Vetrivel, J Mielczarski, ... Langmuir 18 (3), 932-940, 2002 | 134 | 2002 |
| Effect of Chemical Permeation Enhancers on Skin Permeability: In silico screening using Molecular Dynamics simulations R Gupta, BS Dwadasi, B Rai, S Mitragotri Scientific reports 9 (1), 1456, 2019 | 127 | 2019 |
| Molecular modeling and rational design of flotation reagents B Rai International Journal of Mineral Processing 72 (1-4), 95-110, 2003 | 116 | 2003 |
| Effect of salt concentration on properties of lithium ion battery electrolytes: a molecular dynamics study B Ravikumar, M Mynam, B Rai The Journal of Physical Chemistry C 122 (15), 8173-8181, 2018 | 110 | 2018 |
| Molecular modeling of interactions of alkyl hydroxamates with calcium minerals B Rai, TK Rao, S Krishnamurthy, R Vetrivel, J Mielczarski, JM Cases Journal of colloid and interface science 256 (1), 106-113, 2002 | 108 | 2002 |
| Molecular dynamics simulation study of permeation of molecules through skin lipid bilayer R Gupta, DB Sridhar, B Rai The Journal of Physical Chemistry B 120 (34), 8987-8996, 2016 | 104 | 2016 |
| Molecular dynamic simulations of self-assembled alkylthiolate monolayers on an Au (111) surface B Rai, P Sathish, CP Malhotra, Pradip, KG Ayappa Langmuir 20 (8), 3138-3144, 2004 | 104 | 2004 |
| Imidazole derivatives as corrosion inhibitors for copper: A DFT and reactive force field study D Kumar, V Jain, B Rai Corrosion Science 171, 108724, 2020 | 103 | 2020 |
| Unravelling the mechanisms of corrosion inhibition of iron by henna extract: A density functional theory study D Kumar, V Jain, B Rai Corrosion Science 142, 102-109, 2018 | 78 | 2018 |
| Molecular modeling for the design of novel performance chemicals and materials B Rai CRC Press, 2012 | 75 | 2012 |
| Design of tailor-made surfactants for industrial applications using a molecular modelling approach B Rai Colloids and Surfaces A: Physicochemical and Engineering Aspects 205 (1-2 …, 2002 | 75 | 2002 |
| Molecular dynamics simulation study of skin lipids: effects of the molar ratio of individual components over a wide temperature range R Gupta, B Rai The Journal of Physical Chemistry B 119 (35), 11643-11655, 2015 | 73 | 2015 |
| Bulk and surface DFT investigations of inorganic halide perovskites screened using machine learning and materials property databases D Jain, S Chaube, P Khullar, SG Srinivasan, B Rai Physical Chemistry Chemical Physics 21 (35), 19423-19436, 2019 | 71 | 2019 |
| Permeation of nanoparticles across the intestinal lipid membrane: dependence on shape and surface chemistry studied through molecular simulations R Gupta, Y Badhe, S Mitragotri, B Rai Nanoscale 12 (11), 6318-6333, 2020 | 70 | 2020 |
| Penetration of gold nanoparticles through human skin: unraveling its mechanisms at the molecular scale R Gupta, B Rai The Journal of Physical Chemistry B 120 (29), 7133-7142, 2016 | 69 | 2016 |
Rakesh GuptaScientist, TCS ResearchVerified email at tcs.com
