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Sapna Sarupria

TitleAssistant Professor
InstitutionClemson University
DepartmentDepartment of Chemical and Biomolecular Engineering
Address125 Earle Hall
Clemson, South Carolina 29634
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    Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Faculty can login to make corrections and additions.
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    1. Dasetty S, Sarupria S. Advancing Rational Control of Peptide-Surface Complexes. J Phys Chem B. 2021 03 18; 125(10):2644-2657. PMID: 33661633.
      View in: PubMed
    2. Lata NN, Zhou J, Hamilton P, Larsen M, Sarupria S, Cantrell W. Multivalent Surface Cations Enhance Heterogeneous Freezing of Water on Muscovite Mica. J Phys Chem Lett. 2020 Oct 15; 11(20):8682-8689. PMID: 32955892.
      View in: PubMed
    3. DeFever RS, Targonski C, Hall SW, Smith MC, Sarupria S. A generalized deep learning approach for local structure identification in molecular simulations. Chem Sci. 2019 Aug 28; 10(32):7503-7515. PMID: 31768235.
      View in: PubMed
    4. Bodenschatz CJ, Zhang X, Xie T, Arvay J, Sarupria S, Getman RB. Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics. J Vis Exp. 2019 04 12; (146). PMID: 31033957.
      View in: PubMed
    5. Dasetty S, Barrows JK, Sarupria S. Adsorption of amino acids on graphene: assessment of current force fields. Soft Matter. 2019 Mar 13; 15(11):2359-2372. PMID: 30789189.
      View in: PubMed
    6. Zhang X, DeFever RS, Sarupria S, Getman RB. Free Energies of Catalytic Species Adsorbed to Pt(111) Surfaces under Liquid Solvent Calculated Using Classical and Quantum Approaches. J Chem Inf Model. 2019 05 28; 59(5):2190-2198. PMID: 30821458.
      View in: PubMed
    7. DeFever RS, Sarupria S. Contour forward flux sampling: Sampling rare events along multiple collective variables. J Chem Phys. 2019 Jan 14; 150(2):024103. PMID: 30646707.
      View in: PubMed
    8. DeFever RS, Sarupria S. Nucleation mechanism of clathrate hydrates of water-soluble guest molecules. J Chem Phys. 2017 Nov 28; 147(20):204503. PMID: 29195288.
      View in: PubMed
    9. Glatz B, Sarupria S. Heterogeneous Ice Nucleation: Interplay of Surface Properties and Their Impact on Water Orientations. Langmuir. 2018 01 23; 34(3):1190-1198. PMID: 29020452.
      View in: PubMed
    10. Glatz B, Sarupria S. The surface charge distribution affects the ice nucleating efficiency of silver iodide. J Chem Phys. 2016 Dec 07; 145(21):211924. PMID: 28799343.
      View in: PubMed
    11. Sengupta B, Gregory WE, Zhu J, Dasetty S, Karakaya M, Brown JM, Rao AM, Barrows JK, Sarupria S, Podila R. Influence of carbon nanomaterial defects on the formation of protein corona. RSC Adv. 2015; 5(100):82395-82402. PMID: 26877870.
      View in: PubMed
    12. DeFever RS, Sarupria S. Association of small aromatic molecules with PAMAM dendrimers. Phys Chem Chem Phys. 2015 Nov 28; 17(44):29548-57. PMID: 26395843.
      View in: PubMed
    13. DeFever RS, Geitner NK, Bhattacharya P, Ding F, Ke PC, Sarupria S. PAMAM dendrimers and graphene: materials for removing aromatic contaminants from water. Environ Sci Technol. 2015 Apr 07; 49(7):4490-7. PMID: 25786141.
      View in: PubMed
    14. Haji-Akbari A, DeFever RS, Sarupria S, Debenedetti PG. Suppression of sub-surface freezing in free-standing thin films of a coarse-grained model of water. Phys Chem Chem Phys. 2014 Dec 21; 16(47):25916-27. PMID: 25354427.
      View in: PubMed
    15. Vembanur S, Patel AJ, Sarupria S, Garde S. On the thermodynamics and kinetics of hydrophobic interactions at interfaces. J Phys Chem B. 2013 Sep 05; 117(35):10261-70. PMID: 23906438.
      View in: PubMed
    16. Bhattacharya P, Geitner NK, Sarupria S, Ke PC. Exploiting the physicochemical properties of dendritic polymers for environmental and biological applications. Phys Chem Chem Phys. 2013 Apr 07; 15(13):4477-90. PMID: 23400225.
      View in: PubMed
    17. Sarupria S, Debenedetti PG. Homogeneous Nucleation of Methane Hydrate in Microsecond Molecular Dynamics Simulations. J Phys Chem Lett. 2012 Oct 18; 3(20):2942-7. PMID: 26292230.
      View in: PubMed
    18. Sarupria S, Debenedetti PG. Molecular dynamics study of carbon dioxide hydrate dissociation. J Phys Chem A. 2011 Jun 16; 115(23):6102-11. PMID: 21428428.
      View in: PubMed
    19. Sarupria S, Ghosh T, GarcĂ­a AE, Garde S. Studying pressure denaturation of a protein by molecular dynamics simulations. Proteins. 2010 May 15; 78(7):1641-51. PMID: 20146357.
      View in: PubMed
    20. Debenedetti PG, Sarupria S. Chemistry. Hydrate molecular ballet. Science. 2009 Nov 20; 326(5956):1070-1. PMID: 19965416.
      View in: PubMed
    21. Sarupria S, Garde S. Quantifying water density fluctuations and compressibility of hydration shells of hydrophobic solutes and proteins. Phys Rev Lett. 2009 Jul 17; 103(3):037803. PMID: 19659321.
      View in: PubMed
    22. Athawale MV, Sarupria S, Garde S. Enthalpy-entropy contributions to salt and osmolyte effects on molecular-scale hydrophobic hydration and interactions. J Phys Chem B. 2008 May 08; 112(18):5661-70. PMID: 18447346.
      View in: PubMed
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