Shekhar Garde - Publications

Affiliations: 
Rensselaer Polytechnic Institute, Troy, NY, United States 
Area:
Chemical Engineering, Biochemistry
Website:
http://cbe.rpi.edu/shekhar-garde

67 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Bilodeau CL, Lau EY, Roush D, Garde S, Cramer SM. Formation of Ligand Clusters on Multimodal Chromatographic Surfaces. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 31603330 DOI: 10.1021/acs.langmuir.9b01925  0.64
2019 Bilodeau CL, Lau EY, Cramer SM, Garde S. Conformational Equilibria of Multimodal Chromatography Ligands in Water and Bound to Protein Surfaces. The Journal of Physical Chemistry. B. PMID 31117605 DOI: 10.1021/acs.jpcb.9b01218  0.64
2017 Xi E, Venkateshwaran V, Li L, Rego N, Patel AJ, Garde S. Hydrophobicity of proteins and nanostructured solutes is governed by topographical and chemical context. Proceedings of the National Academy of Sciences of the United States of America. PMID 29158409 DOI: 10.1073/pnas.1700092114  0.96
2017 Srinivasan K, Banerjee S, Parimal S, Sejergaard L, Berkovich R, Barquera B, Garde S, Cramer SM. Single molecule force spectroscopy and molecular dynamics simulations as a combined platform for probing protein face specific binding. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28949551 DOI: 10.1021/acs.langmuir.7b03011  0.64
2017 Tiller KE, Li L, Kumar S, Julian MC, Garde S, Tessier PM. Arginine mutations in antibody complementarity-determining regions display context-dependent affinity/specificity trade-offs. The Journal of Biological Chemistry. PMID 28778924 DOI: 10.1074/jbc.M117.783837  0.44
2017 Julian MC, Li L, Garde S, Wilen R, Tessier PM. Efficient affinity maturation of antibody variable domains requires co-selection of compensatory mutations to maintain thermodynamic stability. Scientific Reports. 7: 45259. PMID 28349921 DOI: 10.1038/srep45259  0.44
2016 Parimal S, Garde S, Cramer SM. Effect of guanidine and arginine on protein-ligand interactions in multimodal cation-exchange chromatography. Biotechnology Progress. PMID 27997085 DOI: 10.1002/btpr.2419  0.64
2015 Wu E, Garde S. Understanding n-Octane Behavior Near Graphene With Scaled Solvent-Solute Attractions. The Journal of Physical Chemistry. B. PMID 26716462 DOI: 10.1021/acs.jpcb.5b10262  1
2015 Remsing RC, Xi E, Vembanur S, Sharma S, Debenedetti PG, Garde S, Patel AJ. Pathways to dewetting in hydrophobic confinement. Proceedings of the National Academy of Sciences of the United States of America. PMID 26100866 DOI: 10.1073/pnas.1503302112  1
2015 Parimal S, Garde S, Cramer SM. Interactions of Multimodal Ligands with Proteins: Insights into Selectivity Using Molecular Dynamics Simulations. Langmuir : the Acs Journal of Surfaces and Colloids. 31: 7512-23. PMID 26030224 DOI: 10.1021/acs.langmuir.5b00236  1
2015 Garde S. Physical chemistry: Hydrophobic interactions in context. Nature. 517: 277-9. PMID 25592530 DOI: 10.1038/517277a  1
2015 Wu E, Coppens MO, Garde S. Role of arginine in mediating protein-carbon nanotube interactions. Langmuir : the Acs Journal of Surfaces and Colloids. 31: 1683-92. PMID 25575129 DOI: 10.1021/la5043553  1
2014 Wu E, Garde S. Lengthscale-Dependent Solvation and Density Fluctuations in n-Octane. The Journal of Physical Chemistry. B. PMID 25402732 DOI: 10.1021/jp509912v  1
2014 Li L, Garde S. Binding, structure, and dynamics of hydrophobic polymers near patterned self-assembled monolayer surfaces. Langmuir : the Acs Journal of Surfaces and Colloids. 30: 14204-11. PMID 25337813 DOI: 10.1021/la503537b  1
2014 Parimal S, Cramer SM, Garde S. Application of a spherical harmonics expansion approach for calculating ligand density distributions around proteins. The Journal of Physical Chemistry. B. 118: 13066-76. PMID 25198149 DOI: 10.1021/jp506849k  1
2014 Venkateshwaran V, Vembanur S, Garde S. Water-mediated ion-ion interactions are enhanced at the water vapor-liquid interface. Proceedings of the National Academy of Sciences of the United States of America. 111: 8729-34. PMID 24889634 DOI: 10.1073/pnas.1403294111  1
2014 Vembanur S, Venkateshwaran V, Garde S. Structure and dynamics of single hydrophobic/ionic heteropolymers at the vapor-liquid interface of water. Langmuir : the Acs Journal of Surfaces and Colloids. 30: 4654-61. PMID 24689358 DOI: 10.1021/la500237u  1
2014 Patel AJ, Garde S. Efficient method to characterize the context-dependent hydrophobicity of proteins. The Journal of Physical Chemistry. B. 118: 1564-73. PMID 24397378 DOI: 10.1021/jp4081977  1
2013 Vembanur S, Patel AJ, Sarupria S, Garde S. On the thermodynamics and kinetics of hydrophobic interactions at interfaces. The Journal of Physical Chemistry. B. 117: 10261-70. PMID 23906438 DOI: 10.1021/jp4050513  1
2013 Fiore A, Venkateshwaran V, Garde S. Trimethylamine N-oxide (TMAO) and tert-butyl alcohol (TBA) at hydrophobic interfaces: insights from molecular dynamics simulations. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 8017-24. PMID 23687932 DOI: 10.1021/la401203r  1
2012 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. The Journal of Physical Chemistry. B. 116: 2498-503. PMID 22235927 DOI: 10.1021/jp2107523  1
2011 Jamadagni SN, Godawat R, Garde S. Hydrophobicity of proteins and interfaces: insights from density fluctuations. Annual Review of Chemical and Biomolecular Engineering. 2: 147-71. PMID 22432614 DOI: 10.1146/annurev-chembioeng-061010-114156  1
2011 Patel AJ, Varilly P, Chandler D, Garde S. Quantifying density fluctuations in volumes of all shapes and sizes using indirect umbrella sampling. Journal of Statistical Physics. 145: 265-275. PMID 22184480 DOI: 10.1007/s10955-011-0269-9  1
2011 Patel AJ, Varilly P, Jamadagni SN, Acharya H, Garde S, Chandler D. Extended surfaces modulate hydrophobic interactions of neighboring solutes. Proceedings of the National Academy of Sciences of the United States of America. 108: 17678-83. PMID 21987795 DOI: 10.1073/pnas.1110703108  1
2011 Garde S, Patel AJ. Unraveling the hydrophobic effect, one molecule at a time. Proceedings of the National Academy of Sciences of the United States of America. 108: 16491-2. PMID 21957073 DOI: 10.1073/pnas.1113256108  1
2011 Freed AS, Garde S, Cramer SM. Molecular simulations of multimodal ligand-protein binding: elucidation of binding sites and correlation with experiments. The Journal of Physical Chemistry. B. 115: 13320-7. PMID 21942536 DOI: 10.1021/jp2038015  1
2010 Acharya H, Vembanur S, Jamadagni SN, Garde S. Mapping hydrophobicity at the nanoscale: applications to heterogeneous surfaces and proteins. Faraday Discussions. 146: 353-65; discussion 3. PMID 21043432 DOI: 10.1039/b927019a  1
2010 Jamadagni SN, Bosoy C, Garde S. Designing heteropolymers to fold into unique structures via water-mediated interactions. The Journal of Physical Chemistry. B. 114: 13282-8. PMID 20925359 DOI: 10.1021/jp104924g  1
2010 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 : the Acs Journal of Surfaces and Colloids. 26: 9695-702. PMID 20334401 DOI: 10.1021/la100363m  1
2010 Godawat R, Jamadagni SN, Garde S. Unfolding of hydrophobic polymers in guanidinium chloride solutions. The Journal of Physical Chemistry. B. 114: 2246-54. PMID 20146543 DOI: 10.1021/jp906976q  1
2010 Sarupria S, Ghosh T, García AE, Garde S. Studying pressure denaturation of a protein by molecular dynamics simulations. Proteins. 78: 1641-51. PMID 20146357 DOI: 10.1002/prot.22680  1
2009 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. Physical Review Letters. 103: 237402. PMID 20366171 DOI: 10.1103/PhysRevLett.103.237402  1
2009 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. Biophysical Journal. 97: 2794-802. PMID 19917234 DOI: 10.1016/j.bpj.2009.08.037  1
2009 Fennell CJ, Bizjak A, Vlachy V, Dill KA, Sarupria S, Rajamani S, Garde S. Ion pairing in molecular simulations of aqueous alkali halide solutions. The Journal of Physical Chemistry. B. 113: 14837-8. PMID 19807139 DOI: 10.1021/jp908484v  1
2009 Athawale MV, Jamadagni SN, Garde S. How hydrophobic hydration responds to solute size and attractions: Theory and simulations. The Journal of Chemical Physics. 131: 115102. PMID 19778151 DOI: 10.1063/1.3227031  1
2009 Godawat R, Jamadagni SN, Garde S. Characterizing hydrophobicity of interfaces by using cavity formation, solute binding, and water correlations. Proceedings of the National Academy of Sciences of the United States of America. 106: 15119-24. PMID 19706896 DOI: 10.1073/pnas.0902778106  1
2009 Sarupria S, Garde S. Quantifying water density fluctuations and compressibility of hydration shells of hydrophobic solutes and proteins. Physical Review Letters. 103: 037803. PMID 19659321 DOI: 10.1103/PhysRevLett.103.037803  1
2009 Shenogina N, Godawat R, Keblinski P, Garde S. How wetting and adhesion affect thermal conductance of a range of hydrophobic to hydrophilic aqueous interfaces. Physical Review Letters. 102: 156101. PMID 19518653 DOI: 10.1103/PhysRevLett.102.156101  1
2009 Jamadagni SN, Godawat R, Garde S. How surface wettability affects the binding, folding, and dynamics of hydrophobic polymers at interfaces. Langmuir : the Acs Journal of Surfaces and Colloids. 25: 13092-9. PMID 19492828 DOI: 10.1021/la9011839  1
2009 Jamadagni SN, Godawat R, Dordick JS, Garde S. How interfaces affect hydrophobically driven polymer folding. The Journal of Physical Chemistry. B. 113: 4093-101. PMID 19425248 DOI: 10.1021/jp806528m  1
2009 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. Biotechnology and Bioengineering. 102: 1428-37. PMID 19030191 DOI: 10.1002/bit.22170  1
2008 Shenogina N, Keblinski P, Garde S. Strong frequency dependence of dynamical coupling between protein and water. The Journal of Chemical Physics. 129: 155105. PMID 19045235 DOI: 10.1063/1.2991183  1
2008 Goel G, Athawale MV, Garde S, Truskett TM. Attractions, water structure, and thermodynamics of hydrophobic polymer collapse. The Journal of Physical Chemistry. B. 112: 13193-6. PMID 18821793 DOI: 10.1021/jp806993b  1
2008 Athawale MV, Sarupria S, Garde S. Enthalpy-entropy contributions to salt and osmolyte effects on molecular-scale hydrophobic hydration and interactions. The Journal of Physical Chemistry. B. 112: 5661-70. PMID 18447346 DOI: 10.1021/jp073485n  1
2008 Rasaiah JC, Garde S, Hummer G. Water in nonpolar confinement: from nanotubes to proteins and beyond. Annual Review of Physical Chemistry. 59: 713-40. PMID 18092942 DOI: 10.1146/annurev.physchem.59.032607.093815  1
2007 Yang L, Garde S. Modeling the selective partitioning of cations into negatively charged nanopores in water. The Journal of Chemical Physics. 126: 084706. PMID 17343468 DOI: 10.1063/1.2464083  1
2007 Athawale MV, Goel G, Ghosh T, Truskett TM, Garde S. Effects of lengthscales and attractions on the collapse of hydrophobic polymers in water Proceedings of the National Academy of Sciences of the United States of America. 104: 733-738. PMID 17215352 DOI: 10.1073/pnas.0605139104  1
2007 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 Biophysical Journal. 92: 847-853. PMID 17085503 DOI: 10.1529/biophysj.106.092049  1
2006 Tikhonov AM, Patel H, Garde S, Schlossman ML. Tail ordering due to headgroup hydrogen bonding interactions in surfactant monolayers at the water-oil interface. The Journal of Physical Chemistry. B. 110: 19093-6. PMID 17004752 DOI: 10.1021/jp064120q  1
2006 Pereira B, Jain S, Garde S. Quantifying the protein core flexibility through analysis of cavity formation. The Journal of Chemical Physics. 124: 74704. PMID 16497067 DOI: 10.1063/1.2149848  1
2005 Ghosh T, Kalra A, Garde S. On the salt-induced stabilization of pair and many-body hydrophobic interactions. The Journal of Physical Chemistry. B. 109: 642-51. PMID 16851057 DOI: 10.1021/jp0475638  1
2005 Liu H, Garde S, Kumar S. Direct determination of phase behavior of square-well fluids. The Journal of Chemical Physics. 123: 174505. PMID 16375544 DOI: 10.1063/1.2085051  1
2005 Patel HA, Garde S, Keblinski P. Thermal resistance of nanoscopic liquid-liquid interfaces: dependence on chemistry and molecular architecture. Nano Letters. 5: 2225-31. PMID 16277458 DOI: 10.1021/nl051526q  1
2005 Rajamani S, Truskett TM, Garde S. Hydrophobic hydration from small to large lengthscales: Understanding and manipulating the crossover Proceedings of the National Academy of Sciences of the United States of America. 102: 9475-9480. PMID 15972804 DOI: 10.1073/pnas.0504089102  1
2005 Athawale MV, Dordick JS, Garde S. Osmolyte trimethylamine-N-oxide does not affect the strength of hydrophobic interactions: origin of osmolyte compatibility. Biophysical Journal. 89: 858-66. PMID 15894642 DOI: 10.1529/biophysj.104.056671  1
2005 Ashbaugh HS, Patel HA, Kumar SK, Garde S. Mesoscale model of polymer melt structure: self-consistent mapping of molecular correlations to coarse-grained potentials. The Journal of Chemical Physics. 122: 104908. PMID 15836359 DOI: 10.1063/1.1861455  1
2004 Yang L, Dordick JS, Garde S. Hydration of enzyme in nonaqueous media is consistent with solvent dependence of its activity. Biophysical Journal. 87: 812-21. PMID 15298890 DOI: 10.1529/biophysj.104.041269  1
2004 Xia F, Nagrath D, Garde S, Cramer SM. Evaluation of selectivity changes in HIC systems using a preferential interaction based analysis. Biotechnology and Bioengineering. 87: 354-63. PMID 15281110 DOI: 10.1002/bit.20120  1
2004 Rajamani S, Ghosh T, Garde S. Size dependent ion hydration, its asymmetry, and convergence to macroscopic behavior. The Journal of Chemical Physics. 120: 4457-66. PMID 15268613 DOI: 10.1063/1.1644536  1
2003 Ghosh T, Garde S, García AE. Role of backbone hydration and salt-bridge formation in stability of alpha-helix in solution. Biophysical Journal. 85: 3187-93. PMID 14581218 DOI: 10.1016/S0006-3495(03)74736-5  1
2003 Kalra A, Garde S, Hummer G. Osmotic water transport through carbon nanotube membranes. Proceedings of the National Academy of Sciences of the United States of America. 100: 10175-80. PMID 12878724 DOI: 10.1073/pnas.1633354100  1
2003 Bystroff C, Garde S. Helix propensities of short peptides: molecular dynamics versus bioinformatics. Proteins. 50: 552-62. PMID 12577261 DOI: 10.1002/prot.10252  1
2001 Ghosh T, García AE, Garde S. Molecular dynamics simulations of pressure effects on hydrophobic interactions. Journal of the American Chemical Society. 123: 10997-1003. PMID 11686704 DOI: 10.1021/ja010446v  1
1999 Ashbaugh HS, Garde S, Hummer G, Kaler EW, Paulaitis ME. Conformational equilibria of alkanes in aqueous solution: relationship to water structure near hydrophobic solutes. Biophysical Journal. 77: 645-54. PMID 10423414 DOI: 10.1016/S0006-3495(99)76920-1  1
1998 Hummer G, Garde S, García AE, Paulaitis ME, Pratt LR. The pressure dependence of hydrophobic interactions is consistent with the observed pressure denaturation of proteins. Proceedings of the National Academy of Sciences of the United States of America. 95: 1552-5. PMID 9465053 DOI: 10.1073/pnas.95.4.1552  1
1996 Garde S, Hummer G, García AE, Paulaitis ME, Pratt LR. Origin of Entropy Convergence in Hydrophobic Hydration and Protein Folding. Physical Review Letters. 77: 4966-4968. PMID 10062679 DOI: 10.1103/PhysRevLett.77.4966  0.6
1996 Garde S, Hummer G, García AE, Pratt LR, Paulaitis ME. Hydrophobic hydration: Inhomogeneous water structure near nonpolar molecular solutes. Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 53: R4310-R4313. PMID 9964911  0.6
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