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Shekhar Garde

TitleProfessor
InstitutionRensselaer Polytechnic Institute
DepartmentChemical and Biological Engineering
Address

     Bibliographic 
     selected publications
    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. Vembanur S, Patel AJ, Sarupria S, Garde S. On the thermodynamics and kinetics of hydrophobic interactions at interfaces. J Phys Chem B. 2013 Sep 5; 117(35):10261-70.
      View in: PubMed
    2. Fiore A, Venkateshwaran V, Garde S. Trimethylamine N-oxide (TMAO) and tert-butyl alcohol (TBA) at hydrophobic interfaces: insights from molecular dynamics simulations. Langmuir. 2013 Jun 25; 29(25):8017-24.
      View in: PubMed
    3. Patel AJ, Varilly P, Jamadagni SN, Hagan MF, Chandler D, Garde S. Sitting at the edge: how biomolecules use hydrophobicity to tune their interactions and function. J Phys Chem B. 2012 Mar 1; 116(8):2498-503.
      View in: PubMed
    4. Freed AS, Garde S, Cramer SM. Molecular simulations of multimodal ligand-protein binding: elucidation of binding sites and correlation with experiments. J Phys Chem B. 2011 Nov 17; 115(45):13320-7.
      View in: PubMed
    5. Patel AJ, Varilly P, Jamadagni SN, Acharya H, Garde S, Chandler D. Extended surfaces modulate hydrophobic interactions of neighboring solutes. Proc Natl Acad Sci U S A. 2011 Oct 25; 108(43):17678-83.
      View in: PubMed
    6. Garde S, Patel AJ. Unraveling the hydrophobic effect, one molecule at a time. Proc Natl Acad Sci U S A. 2011 Oct 4; 108(40):16491-2.
      View in: PubMed
    7. Jamadagni SN, Godawat R, Garde S. Hydrophobicity of proteins and interfaces: insights from density fluctuations. Annu Rev Chem Biomol Eng. 2011; 2:147-71.
      View in: PubMed
    8. Jamadagni SN, Bosoy C, Garde S. Designing heteropolymers to fold into unique structures via water-mediated interactions. J Phys Chem B. 2010 Oct 28; 114(42):13282-8.
      View in: PubMed
    9. Anand G, Jamadagni SN, Garde S, Belfort G. Self-assembly of TMAO at hydrophobic interfaces and its effect on protein adsorption: insights from experiments and simulations. Langmuir. 2010 Jun 15; 26(12):9695-702.
      View in: PubMed
    10. Sarupria S, Ghosh T, García AE, Garde S. Studying pressure denaturation of a protein by molecular dynamics simulations. Proteins. 2010 May 15; 78(7):1641-51.
      View in: PubMed
    11. Godawat R, Jamadagni SN, Garde S. Unfolding of hydrophobic polymers in guanidinium chloride solutions. J Phys Chem B. 2010 Feb 18; 114(6):2246-54.
      View in: PubMed
    12. Acharya H, Vembanur S, Jamadagni SN, Garde S. Mapping hydrophobicity at the nanoscale: applications to heterogeneous surfaces and proteins. Faraday Discuss. 2010; 146:353-65; discussion 367-93, 395-401.
      View in: PubMed
    13. Coridan RH, Schmidt NW, Lai GH, Godawat R, Krisch M, Garde S, Abbamonte P, Wong GC. Hydration dynamics at femtosecond time scales and angstrom length scales from inelastic x-ray scattering. Phys Rev Lett. 2009 Dec 4; 103(23):237402.
      View in: PubMed
    14. Chen CH, Málková S, Pingali SV, Long F, Garde S, Cho W, Schlossman ML. Configuration of PKCalpha-C2 domain bound to mixed SOPC/SOPS lipid monolayers. Biophys J. 2009 Nov 18; 97(10):2794-802.
      View in: PubMed
    15. Jamadagni SN, Godawat R, Garde S. How surface wettability affects the binding, folding, and dynamics of hydrophobic polymers at interfaces. Langmuir. 2009 Nov 17; 25(22):13092-9.
      View in: PubMed
    16. Athawale MV, Jamadagni SN, Garde S. How hydrophobic hydration responds to solute size and attractions: Theory and simulations. J Chem Phys. 2009 Sep 21; 131(11):115102.
      View in: PubMed
    17. Godawat R, Jamadagni SN, Garde S. Characterizing hydrophobicity of interfaces by using cavity formation, solute binding, and water correlations. Proc Natl Acad Sci U S A. 2009 Sep 8; 106(36):15119-24.
      View in: PubMed
    18. 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.
      View in: PubMed
    19. Shenogina N, Godawat R, Keblinski P, Garde S. How wetting and adhesion affect thermal conductance of a range of hydrophobic to hydrophilic aqueous interfaces. Phys Rev Lett. 2009 Apr 17; 102(15):156101.
      View in: PubMed
    20. Jamadagni SN, Godawat R, Dordick JS, Garde S. How interfaces affect hydrophobically driven polymer folding. J Phys Chem B. 2009 Apr 2; 113(13):4093-101.
      View in: PubMed
    21. Morrison CJ, Godawat R, McCallum SA, Garde S, Cramer SM. Mechanistic studies of displacer-protein binding in chemically selective displacement systems using NMR and MD simulations. Biotechnol Bioeng. 2009 Apr 1; 102(5):1428-37.
      View in: PubMed
    22. Shenogina N, Keblinski P, Garde S. Strong frequency dependence of dynamical coupling between protein and water. J Chem Phys. 2008 Oct 21; 129(15):155105.
      View in: PubMed
    23. Goel G, Athawale MV, Garde S, Truskett TM. Attractions, water structure, and thermodynamics of hydrophobic polymer collapse. J Phys Chem B. 2008 Oct 23; 112(42):13193-6.
      View in: PubMed
    24. 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 8; 112(18):5661-70.
      View in: PubMed
    25. Rasaiah JC, Garde S, Hummer G. Water in nonpolar confinement: from nanotubes to proteins and beyond. Annu Rev Phys Chem. 2008; 59:713-40.
      View in: PubMed
    26. Yang L, Garde S. Modeling the selective partitioning of cations into negatively charged nanopores in water. J Chem Phys. 2007 Feb 28; 126(8):084706.
      View in: PubMed
    27. Athawale MV, Goel G, Ghosh T, Truskett TM, Garde S. Effects of lengthscales and attractions on the collapse of hydrophobic polymers in water. Proc Natl Acad Sci U S A. 2007 Jan 16; 104(3):733-8.
      View in: PubMed
    28. Shemella P, Pereira B, Zhang Y, Van Roey P, Belfort G, Garde S, Nayak SK. Mechanism for intein C-terminal cleavage: a proposal from quantum mechanical calculations. Biophys J. 2007 Feb 1; 92(3):847-53.
      View in: PubMed
    29. Tikhonov AM, Patel H, Garde S, Schlossman ML. Tail ordering due to headgroup hydrogen bonding interactions in surfactant monolayers at the water-oil interface. J Phys Chem B. 2006 Oct 5; 110(39):19093-6.
      View in: PubMed
    30. Pereira B, Jain S, Garde S. Quantifying the protein core flexibility through analysis of cavity formation. J Chem Phys. 2006 Feb 21; 124(7):74704.
      View in: PubMed
    31. Liu H, Garde S, Kumar S. Direct determination of phase behavior of square-well fluids. J Chem Phys. 2005 Nov 1; 123(17):174505.
      View in: PubMed
    32. Patel HA, Garde S, Keblinski P. Thermal resistance of nanoscopic liquid-liquid interfaces: dependence on chemistry and molecular architecture. Nano Lett. 2005 Nov; 5(11):2225-31.
      View in: PubMed
    33. Rajamani S, Truskett TM, Garde S. Hydrophobic hydration from small to large lengthscales: Understanding and manipulating the crossover. Proc Natl Acad Sci U S A. 2005 Jul 5; 102(27):9475-80.
      View in: PubMed
    34. Athawale MV, Dordick JS, Garde S. Osmolyte trimethylamine-N-oxide does not affect the strength of hydrophobic interactions: origin of osmolyte compatibility. Biophys J. 2005 Aug; 89(2):858-66.
      View in: PubMed
    35. Ashbaugh HS, Patel HA, Kumar SK, Garde S. Mesoscale model of polymer melt structure: self-consistent mapping of molecular correlations to coarse-grained potentials. J Chem Phys. 2005 Mar 8; 122(10):104908.
      View in: PubMed
    36. Ghosh T, Kalra A, Garde S. On the salt-induced stabilization of pair and many-body hydrophobic interactions. J Phys Chem B. 2005 Jan 13; 109(1):642-51.
      View in: PubMed
    37. Xia F, Nagrath D, Garde S, Cramer SM. Evaluation of selectivity changes in HIC systems using a preferential interaction based analysis. Biotechnol Bioeng. 2004 Aug 5; 87(3):354-63.
      View in: PubMed
    38. Yang L, Dordick JS, Garde S. Hydration of enzyme in nonaqueous media is consistent with solvent dependence of its activity. Biophys J. 2004 Aug; 87(2):812-21.
      View in: PubMed
    39. Rajamani S, Ghosh T, Garde S. Size dependent ion hydration, its asymmetry, and convergence to macroscopic behavior. J Chem Phys. 2004 Mar 1; 120(9):4457-66.
      View in: PubMed
    40. Ghosh T, Garde S, García AE. Role of backbone hydration and salt-bridge formation in stability of alpha-helix in solution. Biophys J. 2003 Nov; 85(5):3187-93.
      View in: PubMed
    41. Kalra A, Garde S, Hummer G. Osmotic water transport through carbon nanotube membranes. Proc Natl Acad Sci U S A. 2003 Sep 2; 100(18):10175-80.
      View in: PubMed
    42. Bystroff C, Garde S. Helix propensities of short peptides: molecular dynamics versus bioinformatics. Proteins. 2003 Mar 1; 50(4):552-62.
      View in: PubMed
    43. Ghosh T, García AE, Garde S. Molecular dynamics simulations of pressure effects on hydrophobic interactions. J Am Chem Soc. 2001 Nov 7; 123(44):10997-1003.
      View in: PubMed
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