| Additions/Correction: Ion Pairing in Molecular Simulations of Aqueous Alkali Halide Solutions CJ Fennell, A Bizjak, V Vlachy, KA Dill, S Sarupria, S Rajamani, S Garde J. Phys. Chem. B 113 (44), 14837–14838, 2009 | 350* | 2009 |
| Homogeneous Nucleation of Methane Hydrate in Microsecond Molecular Dynamics Simulations S Sarupria, PG Debenedetti The Journal of Physical Chemistry Letters 3, 2942-2947, 2012 | 199 | 2012 |
| Quantifying Water Density Fluctuations and Compressibility of Hydration Shells<? format?> of Hydrophobic Solutes and Proteins S Sarupria, S Garde Physical review letters 103 (3), 037803, 2009 | 193 | 2009 |
| Molecular dynamics study of carbon dioxide hydrate dissociation S Sarupria, PG Debenedetti The Journal of Physical Chemistry A 115 (23), 6102-6111, 2011 | 122 | 2011 |
| Studying pressure denaturation of a protein by molecular dynamics simulations S Sarupria, T Ghosh, AE García, S Garde Proteins: Structure, Function, and Bioinformatics 78 (7), 1641-1651, 2010 | 87 | 2010 |
| A generalized deep learning approach for local structure identification in molecular simulations RS DeFever, C Targonski, SW Hall, MC Smith, S Sarupria Chemical science 10 (32), 7503-7515, 2019 | 84 | 2019 |
| Suppression of sub-surface freezing in free-standing thin films of a coarse-grained model of water A Haji-Akbari, RS DeFever, S Sarupria, PG Debenedetti Physical Chemistry Chemical Physics 16 (47), 25916-25927, 2014 | 81 | 2014 |
| Enthalpy− entropy contributions to salt and osmolyte effects on molecular-scale hydrophobic hydration and interactions MV Athawale, S Sarupria, S Garde The Journal of Physical Chemistry B 112 (18), 5661-5670, 2008 | 80 | 2008 |
| The surface charge distribution affects the ice nucleating efficiency of silver iodide B Glatz, S Sarupria The Journal of chemical physics 145 (21), 2016 | 76 | 2016 |
| Heterogeneous ice nucleation: Interplay of surface properties and their impact on water orientations B Glatz, S Sarupria Langmuir 34 (3), 1190-1198, 2018 | 75 | 2018 |
| Molecular-Level Details about Liquid H2O Interactions with CO and Sugar Alcohol Adsorbates on Pt(111) Calculated Using Density Functional Theory and … CJ Bodenschatz, S Sarupria, RB Getman The Journal of Physical Chemistry C 119 (24), 13642-13651, 2015 | 60 | 2015 |
| Free energies of catalytic species adsorbed to Pt (111) surfaces under liquid solvent calculated using classical and quantum approaches X Zhang, RS DeFever, S Sarupria, RB Getman Journal of chemical information and modeling 59 (5), 2190-2198, 2019 | 58 | 2019 |
| PAMAM dendrimers and graphene: materials for removing aromatic contaminants from water RS DeFever, NK Geitner, P Bhattacharya, F Ding, PC Ke, S Sarupria Environmental science & technology 49 (7), 4490-4497, 2015 | 50 | 2015 |
| Influence of carbon nanomaterial defects on the formation of protein corona B Sengupta, WE Gregory, J Zhu, S Dasetty, M Karakaya, JM Brown, ... RSC advances 5 (100), 82395-82402, 2015 | 48 | 2015 |
| Nucleation mechanism of clathrate hydrates of water-soluble guest molecules RS DeFever, S Sarupria The Journal of chemical physics 147 (20), 2017 | 45 | 2017 |
| On the water structure at hydrophobic interfaces and the roles of water on transition-metal catalyzed reactions: A short review X Zhang, TE Sewell, B Glatz, S Sarupria, RB Getman Catalysis Today 285, 57-64, 2017 | 45 | 2017 |
| Exploiting the physicochemical properties of dendritic polymers for environmental and biological applications P Bhattacharya, NK Geitner, S Sarupria, PC Ke Physical Chemistry Chemical Physics 15 (13), 4477-4490, 2013 | 44 | 2013 |
| On the thermodynamics and kinetics of hydrophobic interactions at interfaces S Vembanur, AJ Patel, S Sarupria, S Garde The Journal of Physical Chemistry B 117 (35), 10261-10270, 2013 | 39 | 2013 |
| Adsorption of amino acids on graphene: assessment of current force fields S Dasetty, JK Barrows, S Sarupria Soft Matter 15 (11), 2359-2372, 2019 | 34 | 2019 |
| Hydrate molecular ballet PG Debenedetti, S Sarupria Science 326 (5956), 1070-1071, 2009 | 34 | 2009 |
Shekhar GardeRensselaer Polytechnic InstitutePreverjeni e-poštni naslov na rpi.edu