S. Garde

发表

Role of backbone hydration and salt-bridge formation in stability of alpha-helix in solution.

A. Garcia, T. Ghosh, S. Garde, 2003, Biophysical journal.

Role of Backbone Hydration and Salt-Bridge Formation in Stability of α-Helix in Solution

A. Garcia, T. Ghosh, S. Garde, 2003 .

Conformational diffusion and helix formation kinetics.

G. Hummer, A. E. García, S. Garde, 2000, Physical review letters.

Hydrophobic hydration from small to large lengthscales: Understanding and manipulating the crossover.

Thomas M Truskett, S. Garde, Sowmianarayanan Rajamani, 2005, Proceedings of the National Academy of Sciences of the United States of America.

On the salt-induced stabilization of pair and many-body hydrophobic interactions.

T. Ghosh, S. Garde, A. Kalra, 2005, The journal of physical chemistry. B.

Helix nucleation kinetics from molecular simulations in explicit solvent

G. Hummer, A. Garcia, A. E. García, 2001, Proteins.

Unfolding of hydrophobic polymers in guanidinium chloride solutions.

S. Garde, R. Godawat, Sumanth N. Jamadagni, 2010, The journal of physical chemistry. B.

Mapping hydrophobicity at the nanoscale: applications to heterogeneous surfaces and proteins.

S. Garde, Sumanth N. Jamadagni, H. Acharya, 2010, Faraday discussions.

An information theory model of hydrophobic interactions.

A. Pohorille, G. Hummer, L. Pratt, 1996, Proceedings of the National Academy of Sciences of the United States of America.

Hydrophobicity of proteins and interfaces: insights from density fluctuations.

S. Garde, R. Godawat, Sumanth N. Jamadagni, 2011, Annual review of chemical and biomolecular engineering.

Salting-In and Salting-Out of Hydrophobic Solutes in Aqueous Salt Solutions

N. Tugcu, S. Garde, A. Kalra, 2001 .

Evaluation of selectivity changes in HIC systems using a preferential interaction based analysis

S. Cramer, S. Garde, Deepak Nagrath, 2004, Biotechnology and bioengineering.

Binding, structure, and dynamics of hydrophobic polymers near patterned self-assembled monolayer surfaces.

S. Garde, Lijuan Li, 2014, Langmuir : the ACS journal of surfaces and colloids.

Structure, Stability, and Rupture of Free and Supported Liquid Films and Assemblies in Molecular Simulations

S. Garde, J. Errington, R. Godawat, 2008 .

150 Water near proteins and interfaces: a new molecular perspective

S. Garde, 2015, Journal of biomolecular structure & dynamics.

A Heuristic Molecular Model of Hydrophobic Interactions

A. Pohorille, G. Hummer, L. Pratt, 1995, chem-ph/9510001.

Theories of hydrophobic effects and the description of free volume in complex liquids

G. Hummer, L. Pratt, S. Garde, 1998, physics/9806036.

Extended surfaces modulate and can catalyze hydrophobic effects

Amish J. Patel, P. Varilly, D. Chandler, 2011, 1105.0907.

DNA probes for detection of copper resistance genes in Xanthomonas campestris pv. vesicatoria

S. Garde, C. Bender, 1991, Applied and environmental microbiology.

Quantifying Density Fluctuations in Volumes of All Shapes and Sizes Using Indirect Umbrella Sampling

David Chandler, Shekhar Garde, Amish J. Patel, 2011, Journal of statistical physics.

Connecting Non-Gaussian Water Density Fluctuations to the Lengthscale Dependent Crossover in Hydrophobic Hydration.

S. Cramer, S. Garde, H. Ashbaugh, 2022, The journal of physical chemistry. B.

Modeling the selective partitioning of cations into negatively charged nanopores in water.

S. Garde, Lu Yang, 2007, The Journal of chemical physics.

Hydrophobic Effects on a Molecular Scale

G. Hummer, L. Pratt, A. Garcia, 1998, physics/9807001.

Sticky when dry

S. Garde, 2020, Nature Chemistry.

Molecular Realism in Default Models for Information Theories of Hydrophobic Effects

G. Hummer, L. Pratt, S. Garde, 1999, physics/9901030.

Pathways to dewetting in hydrophobic confinement

Amish J. Patel, P. Debenedetti, Sumit Sharma, 2015, Proceedings of the National Academy of Sciences.

Water in nonpolar confinement: from nanotubes to proteins and beyond.

Gerhard Hummer, Shekhar Garde, G. Hummer, 2008, Annual review of physical chemistry.

New perspectives on hydrophobic effects

Gerhard Hummer, Shekhar Garde, Lawrence R. Pratt, 2000 .

Water-mediated ion–ion interactions are enhanced at the water vapor–liquid interface

S. Garde, Srivathsan Vembanur, V. Venkateshwaran, 2014, Proceedings of the National Academy of Sciences.

Hydration of enzyme in nonaqueous media is consistent with solvent dependence of its activity.

S. Garde, J. Dordick, Lu Yang, 2004, Biophysical journal.

The entropy of hydration of simple hydrophobic solutes

S. Garde, M. Paulaitis, H. Ashbaugh, 1994 .

Bridging Gaussian Density Fluctuations from Microscopic to Macroscopic Volumes: Applications to Non-Polar Solute Hydration Thermodynamics

S. Garde, M. Vats, H. Ashbaugh, 2021, The journal of physical chemistry. B.

Tail ordering due to headgroup hydrogen bonding interactions in surfactant monolayers at the water-oil interface.

S. Garde, A. Tikhonov, M. Schlossman, 2006, The journal of physical chemistry. B.

Thermal resistance of nanoscopic liquid-liquid interfaces: dependence on chemistry and molecular architecture.

S. Garde, P. Keblinski, Harshit A. Patel, 2005, Nano letters.

Pressure dependence of the compressibility of a micelle and a protein: insights from cavity formation analysis

S. Garde, Sapna Sarupria, Brian Pereira, 2007 .

Unraveling the hydrophobic effect, one molecule at a time

Amish J. Patel, S. Garde, 2011, Proceedings of the National Academy of Sciences.

Conformational equilibria of alkanes in aqueous solution: relationship to water structure near hydrophobic solutes.

G. Hummer, S. Garde, E. Kaler, 1999, Biophysical journal.

Hydration of biological macromolecules: from small solutes to proteins and nucleic acids

G. Hummer, A. Garcia, S. Garde, 1996 .

Hydrophobic interactions: conformational equilibria and the association of non-polar molecules in water

G. Hummer, S. Garde, M. Paulaitis, 1996 .

Mesoscale model of polymer melt structure: self-consistent mapping of molecular correlations to coarse-grained potentials.

Shekhar Garde, S. Garde, Sanat K. Kumar, 2005, The Journal of chemical physics.

Temperature dependence of hydrophobic hydration and entropy convergence in an isotropic model of water

Shekhar Garde, S. Garde, H. Ashbaugh, 2001 .

Understanding n-Octane Behavior near Graphene with Scaled Solvent-Solute Attractions.

S. Garde, E. Wu, 2016, The journal of physical chemistry. B.

Structure and dynamics of single hydrophobic/ionic heteropolymers at the vapor-liquid interface of water.

S. Garde, Srivathsan Vembanur, V. Venkateshwaran, 2014, Langmuir : the ACS journal of surfaces and colloids.

The hydrophobic effect

S. Garde, M. Paulaitis, H. Ashbaugh, 1996 .

Characterizing hydrophobicity of interfaces by using cavity formation, solute binding, and water correlations

Shekhar Garde, Rahul Godawat, S. Garde, 2009, Proceedings of the National Academy of Sciences.

Quantifying water density fluctuations and compressibility of hydration shells of hydrophobic solutes and proteins.

Sapna Sarupria, Shekhar Garde, S. Garde, 2009, Physical review letters.

Efficient affinity maturation of antibody variable domains requires co-selection of compensatory mutations to maintain thermodynamic stability

Mark C. Julian, S. Garde, P. Tessier, 2017, Scientific Reports.

The pressure dependence of hydrophobic interactions is consistent with the observed pressure denaturation of proteins.

G. Hummer, L. Pratt, A. Garcia, 1998, Proceedings of the National Academy of Sciences of the United States of America.

Role of arginine in mediating protein-carbon nanotube interactions.

M. Coppens, S. Garde, E. Wu, 2015, Langmuir : the ACS journal of surfaces and colloids.

Molecular dynamics simulation of C8E5 micelle in explicit water: structure and hydrophobic solvation thermodynamics

S. Garde, J. Dordick, M. Paulaitis, 2002 .

Molecular Descriptors for Biological Systems

Kristin P. Bennett, Curt M. Breneman, Nagamani Sukumar, 2011 .

How surface wettability affects the binding, folding, and dynamics of hydrophobic polymers at interfaces.

Shekhar Garde, Rahul Godawat, S. Garde, 2009, Langmuir : the ACS journal of surfaces and colloids.

Arginine mutations in antibody complementarity-determining regions display context-dependent affinity/specificity trade-offs

Mark C. Julian, Sandeep Kumar, S. Garde, 2017, The Journal of Biological Chemistry.

Effects of lengthscales and attractions on the collapse of hydrophobic polymers in water

Thomas M Truskett, T. Ghosh, S. Garde, 2007, Proceedings of the National Academy of Sciences.

Temperature dependence of the solubility of non-polar gases in water.

G. Hummer, L. Pratt, A. E. García, 1999, Biophysical chemistry.

How hydrophobic hydration responds to solute size and attractions: Theory and simulations.

S. Garde, Sumanth N. Jamadagni, M. Athawale, 2009, The Journal of chemical physics.

Lengthscale-Dependent Solvation and Density Fluctuations in n-Octane.

S. Garde, E. Wu, 2015, The journal of physical chemistry. B.

Single Molecule Force Spectroscopy and Molecular Dynamics Simulations as a Combined Platform for Probing Protein Face-Specific Binding.

B. Barquera, S. Cramer, K. Srinivasan, 2017, Langmuir : the ACS journal of surfaces and colloids.

Osmotic water transport through carbon nanotube membranes

Gerhard Hummer, Shekhar Garde, G. Hummer, 2003, Proceedings of the National Academy of Sciences of the United States of America.

Physical chemistry: Hydrophobic interactions in context

S. Garde, 2015, Nature.

Methane Partitioning and Transport in Hydrated Carbon Nanotubes

G. Hummer, S. Garde, A. Kalra, 2004 .

How wetting and adhesion affect thermal conductance of a range of hydrophobic to hydrophilic aqueous interfaces.

Pawel Keblinski, Shekhar Garde, Rahul Godawat, 2009, Physical review letters.

How Chemistry, Nanoscale Roughness, and the Direction of Heat Flow Affect Thermal Conductance of Solid–Water Interfaces

Nicholas J. Mozdzierz, S. Garde, P. Keblinski, 2012 .

Hydration dynamics at femtosecond time scales and angstrom length scales from inelastic x-ray scattering.

S. Garde, G. Wong, N. Schmidt, 2009, Physical review letters.

Studying pressure denaturation of a protein by molecular dynamics simulations

A. Garcia, T. Ghosh, S. Garde, 2010, Proteins.

Molecular simulations of multimodal ligand-protein binding: elucidation of binding sites and correlation with experiments.

Steven M Cramer, Shekhar Garde, S. Cramer, 2011, The journal of physical chemistry. B.

Self-assembly of TMAO at hydrophobic interfaces and its effect on protein adsorption: insights from experiments and simulations.

G. Belfort, G. Anand, S. Garde, 2010, Langmuir : the ACS journal of surfaces and colloids.

Extended surfaces modulate hydrophobic interactions of neighboring solutes

Amish J. Patel, P. Varilly, D. Chandler, 2011, Proceedings of the National Academy of Sciences.

Size dependent ion hydration, its asymmetry, and convergence to macroscopic behavior.

T. Ghosh, S. Garde, Sowmianarayanan Rajamani, 2004, The Journal of chemical physics.

Efficient method to characterize the context-dependent hydrophobicity of proteins.

Shekhar Garde, Amish J. Patel, S. Garde, 2014, The journal of physical chemistry. B.

Reply to Comment on “Electrostatic Potentials and Free Energies of Solvation of Polar and Charged Molecules”

B. Berne, G. Hummer, L. Pratt, 1998 .

Trimethylamine N-oxide (TMAO) and tert-butyl alcohol (TBA) at hydrophobic interfaces: insights from molecular dynamics simulations.

S. Garde, Andrew M. Fiore, V. Venkateshwaran, 2013, Langmuir : the ACS journal of surfaces and colloids.

Quantifying the protein core flexibility through analysis of cavity formation.

S. Garde, Brian Pereira, Sandeep K Jain, 2006, The Journal of chemical physics.

Free energy of hydration of a molecular ionic solute: Tetramethylammonium ion

G. Hummer, S. Garde, M. Paulaitis, 1998 .

Tuesday, November 6, 2007

S. Garde, A. Hunter, V. Upadhyayula, 2007 .

Molecular structure and hydrophobic solvation thermodynamics at an octane–water interface

S. Garde, E. Nauman, Harshit A. Patel, 2003 .

Hydrophobicity of proteins and nanostructured solutes is governed by topographical and chemical context

Nicholas Rego, Shekhar Garde, Amish J. Patel, 2017, Proceedings of the National Academy of Sciences.

Osmolyte trimethylamine-N-oxide does not affect the strength of hydrophobic interactions: origin of osmolyte compatibility.

S. Garde, J. Dordick, M. Athawale, 2005, Biophysical journal.

Hydration of the tetramethylammonium ion: From water structure to the free energy of hydration

G. Hummer, S. Garde, M. Paulaitis, 1999 .

Strong frequency dependence of dynamical coupling between protein and water.

S. Garde, P. Keblinski, N. Shenogina, 2008, The Journal of chemical physics.

On the thermodynamics and kinetics of hydrophobic interactions at interfaces.

Amish J. Patel, S. Garde, Sapna Sarupria, 2013, The journal of physical chemistry. B.

Sitting at the edge: how biomolecules use hydrophobicity to tune their interactions and function.

David Chandler, Michael F Hagan, Shekhar Garde, 2011, The journal of physical chemistry. B.

Microscopic density fluctuations and solvation in polymeric fluids

G. Hummer, S. Garde, R. Khare, 2000 .

Direct determination of phase behavior of square-well fluids.

S. Garde, Sanat K. Kumar, Hongjun Liu, 2005, The Journal of chemical physics.

Interactions of Multimodal Ligands with Proteins: Insights into Selectivity Using Molecular Dynamics Simulations.

S. Cramer, S. Garde, Siddharth Parimal, 2015, Langmuir : the ACS journal of surfaces and colloids.

Application of a spherical harmonics expansion approach for calculating ligand density distributions around proteins.

Steven M Cramer, Shekhar Garde, S. Cramer, 2014, The journal of physical chemistry. B.

Configuration of PKCalpha-C2 domain bound to mixed SOPC/SOPS lipid monolayers.

S. Garde, W. Cho, F. Long, 2009, Biophysical journal.

Effect of guanidine and arginine on protein–ligand interactions in multimodal cation‐exchange chromatography

S. Cramer, S. Garde, Siddharth Parimal, 2017, Biotechnology progress.

How interfaces affect hydrophobically driven polymer folding.

S. Garde, J. Dordick, R. Godawat, 2009, The journal of physical chemistry. B.

Cavity Expulsion and Weak Dewetting of Hydrophobic Solutes in Water

G. Hummer, S. Garde, 1998 .

Mechanism for intein C-terminal cleavage: a proposal from quantum mechanical calculations.

G. Belfort, S. Nayak, S. Garde, 2007, Biophysical journal.

Lubrication by molecularly thin water films confined between nanostructured membranes

G. Hummer, S. Garde, A. Kalra, 2010 .

Helix propensities of short peptides: Molecular dynamics versus bioinformatics

Christopher Bystroff, Shekhar Garde, C. Bystroff, 2003, Proteins.

Do Inverse Monte Carlo Algorithms Yield Thermodynamically Consistent Interaction Potentials

Shekhar Garde, S. Garde, Sanat K. Kumar, 2006 .

The Role of Ligand-Ligand Interactions in Multimodal Ligand Conformational Equilibria and Surface Pattern Formation.

Camille L. Bilodeau, S. Cramer, E. Lau, 2020, Langmuir : the ACS journal of surfaces and colloids.

Studying pressure denaturation of a protein by molecular dynamics simulations

A. Garcia, S. Garde, Sapna Sarupria, 2010, Proteins.

Enthalpy-entropy contributions to salt and osmolyte effects on molecular-scale hydrophobic hydration and interactions.

S. Garde, Sapna Sarupria, M. Athawale, 2008, The journal of physical chemistry. B.

Enthalpy and entropy contributions to the pressure dependence of hydrophobic interactions

A. Garcia, S. Garde, Tuhin Ghosh, 2002 .

Molecular dynamics simulations of pressure effects on hydrophobic interactions.

S. Garde, A. García, Tuhin Ghosh, 2001, Journal of the American Chemical Society.

Water-Mediated Three-Particle Interactions between Hydrophobic Solutes: Size, Pressure, and Salt Effects

S. Garde, A. García, Tuhin Ghosh, 2003 .

Origin of Entropy Convergence in Hydrophobic Hydration and Protein Folding.

García, Hummer, S. Garde, 1996, Physical review letters.

Detailed molecular simulations to investigate multicomponent diffusion models

S. Garde, E. Nauman, Harshit A. Patel, 2006 .