Shekhar Garde

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TOP 3
Jamadagni Sumanth N; Godawat Rahul; Garde Shekhar
How surface wettability affects the binding, folding, and dynamics of hydrophobic polymers at interfaces.
Athawale Manoj V; Jamadagni Sumanth N; Garde Shekhar
How hydrophobic hydration responds to solute size and attractions: Theory and simulations.
Godawat Rahul; Jamadagni Sumanth N; Garde Shekhar
Characterizing hydrophobicity of interfaces by using cavity formation, solute binding, and water correlations.

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All Publications

2009: Jamadagni Sumanth N; Godawat Rahul; Garde Shekhar
How surface wettability affects the binding, folding, and dynamics of hydrophobic polymers at interfaces.
Langmuir : the ACS journal of surfaces and colloids 2009;25(22):13092-9.
2009: Athawale Manoj V; Jamadagni Sumanth N; Garde Shekhar
How hydrophobic hydration responds to solute size and attractions: Theory and simulations.
The Journal of chemical physics 2009;131(11):115102.
2009: Godawat Rahul; Jamadagni Sumanth N; Garde Shekhar
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 2009;106(36):15119-24.
2009: Sarupria Sapna; Garde Shekhar
Quantifying water density fluctuations and compressibility of hydration shells of hydrophobic solutes and proteins.
Physical review letters 2009;103(3):037803.
2009: Shenogina Natalia; Godawat Rahul; Keblinski Pawel; Garde Shekhar
How wetting and adhesion affect thermal conductance of a range of hydrophobic to hydrophilic aqueous interfaces.
Physical review letters 2009;102(15):156101.
2009: Jamadagni Sumanth N; Godawat Rahul; Dordick Jonathan S; Garde Shekhar
How interfaces affect hydrophobically driven polymer folding.
The journal of physical chemistry. B 2009;113(13):4093-101.
2009: Morrison Christopher J; Godawat Rahul; McCallum Scott A; Garde Shekhar; Cramer Steven M
Mechanistic studies of displacer-protein binding in chemically selective displacement systems using NMR and MD simulations.
Biotechnology and bioengineering 2009;102(5):1428-37.
2008: Shenogina Natalia; Keblinski Pawel; Garde Shekhar
Strong frequency dependence of dynamical coupling between protein and water.
The Journal of chemical physics 2008;129(15):155105.
2008: Goel Gaurav; Athawale Manoj V; Garde Shekhar; Truskett Thomas M
Attractions, water structure, and thermodynamics of hydrophobic polymer collapse.
The journal of physical chemistry. B 2008;112(42):13193-6.
2008: Athawale Manoj V; Sarupria Sapna; Garde Shekhar
Enthalpy-entropy contributions to salt and osmolyte effects on molecular-scale hydrophobic hydration and interactions.
The journal of physical chemistry. B 2008;112(18):5661-70.
2007: Yang Lu; Garde Shekhar
Modeling the selective partitioning of cations into negatively charged nanopores in water.
The Journal of chemical physics 2007;126(8):084706.
2007: Shemella Philip; Pereira Brian; Zhang Yiming; Van Roey Patrick; Belfort Georges; Garde Shekhar; Nayak Saroj K
Mechanism for intein C-terminal cleavage: a proposal from quantum mechanical calculations.
Biophysical journal 2007;92(3):847-53.
2007: Athawale Manoj V; Goel Gaurav; Ghosh Tuhin; Truskett Thomas M; Garde Shekhar
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 2007;104(3):733-8.
2006: Pereira Brian; Jain Sandeep; Garde Shekhar
Quantifying the protein core flexibility through analysis of cavity formation.
The Journal of chemical physics 2006;124(7):74704.
2005: Liu Hongjun; Garde Shekhar; Kumar Sanat
Direct determination of phase behavior of square-well fluids.
The Journal of chemical physics 2005;123(17):174505.
2005: Patel Harshit A; Garde Shekhar; Keblinski Pawel
Thermal resistance of nanoscopic liquid-liquid interfaces: dependence on chemistry and molecular architecture.
Nano letters 2005;5(11):2225-31.
2005: Athawale Manoj V; Dordick Jonathan S; Garde Shekhar
Osmolyte trimethylamine-N-oxide does not affect the strength of hydrophobic interactions: origin of osmolyte compatibility.
Biophysical journal 2005;89(2):858-66.
2005: Rajamani Sowmianarayanan; Truskett Thomas M; Garde Shekhar
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 2005;102(27):9475-80.
2005: Ashbaugh Henry S; Patel Harshit A; Kumar Sanat K; Garde Shekhar
Mesoscale model of polymer melt structure: self-consistent mapping of molecular correlations to coarse-grained potentials.
The Journal of chemical physics 2005;122(10):104908.
2005: Ghosh Tuhin; Kalra Amrit; Garde Shekhar
On the salt-induced stabilization of pair and many-body hydrophobic interactions.
The journal of physical chemistry. B 2005;109(1):642-51.
2004: Yang Lu; Dordick Jonathan S; Garde Shekhar
Hydration of enzyme in nonaqueous media is consistent with solvent dependence of its activity.
Biophysical journal 2004;87(2):812-21.
2004: Rajamani Sowmianarayanan; Ghosh Tuhin; Garde Shekhar
Size dependent ion hydration, its asymmetry, and convergence to macroscopic behavior.
The Journal of chemical physics 2004;120(9):4457-66.
2003: Ghosh Tuhin; Garde Shekhar; García Angel E
Role of backbone hydration and salt-bridge formation in stability of alpha-helix in solution.
Biophysical journal 2003;85(5):3187-93.
2003: Kalra Amrit; Garde Shekhar; Hummer Gerhard
Osmotic water transport through carbon nanotube membranes.
Proceedings of the National Academy of Sciences of the United States of America 2003;100(18):10175-80.
2003: Bystroff Christopher; Garde Shekhar
Helix propensities of short peptides: molecular dynamics versus bioinformatics.
Proteins 2003;50(4):552-62.
2001: Ghosh T; García A E; Garde S
Molecular dynamics simulations of pressure effects on hydrophobic interactions.
Journal of the American Chemical Society 2001;123(44):10997-1003.
2001: Hummer G; García A E; Garde S
Helix nucleation kinetics from molecular simulations in explicit solvent.
Proteins 2001;42(1):77-84.
2000: Hummer G; García A E; Garde S
Conformational diffusion and helix formation kinetics.
Physical review letters 2000;85(12):2637-40.
1999: Ashbaugh H S; Garde S; Hummer G; Kaler E W; Paulaitis M E
Conformational equilibria of alkanes in aqueous solution: relationship to water structure near hydrophobic solutes.
Biophysical journal 1999;77(2):645-54.
1999: Garde S; García A E; Pratt L R; Hummer G
Temperature dependence of the solubility of non-polar gases in water.
Biophysical chemistry 1999;78(1-2):21-32.
1998: Hummer G; Garde S; García A E; Paulaitis M E; Pratt L R
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 1998;95(4):1552-5.
1996: Hummer G; Garde S; García A E; Pohorille A; Pratt L R
An information theory model of hydrophobic interactions.
Proceedings of the National Academy of Sciences of the United States of America 1996;93(17):8951-5.

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Shekhar Garde

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