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Publications

2022

  • I. Sinha, S. M. Cramer, H. S. Ashbaugh, and S. Garde (2022). "Connecting Non-Gaussian Water Density Fluctuations to the Lengthscale Dependent Crossover in Hydrophobic Hydration," J. Phys. Chem. B., in press, 2022. [Special issue – Pablo Debedenetti Festschrift.] [Abstract]

2021

  • HS Ashbaugh, M Vats, S Garde (2021). "Bridging gaussian density fluctuations from microscopic to macroscopic volumes: Applications to non-polar solute hydration thermodynamics," J. Phys. Chem. B 125 (29), 8152-8164 (2021) [Abstract]

2020

  • CL Bilodeau, EY Lau, SM Cramer, and S Garde (2020). "The Role of Ligand–Ligand Interactions in Multimodal Ligand Conformational Equilibria and Surface Pattern Formation," Langmuir 36 (31), 9054-9063 (2020) [Abstract]
  • S. Garde (2020). "Sticky when dry," Nature Chemistry 12 (7), 587-588 (2020) [Abstract]

2019

  • C. Bilodeau, E. Lau, S. M. Cramer, S. Garde (2019). "Conformational Equilibria of Multimodal Chromatography Ligands in Water and Bound to Protein Surfaces," J. Phys. Chem. B., 123, 4833-4843 (2019) [Abstract]
  • C. Bilodeau, E. Lau, D. Rousch, S. Garde, and S. M. Cramer (2019). "Formation of Ligand Clusters on Multimodal Chromatographic Surfaces," Langmuir, 35 (51), 16770-16779 (2019) [Abstract]

2017

  • E. Xi, V. Venkateshwaran, L. Li, N. Rego, A. J. Patel, S. Garde (2017). "Hydrophobicity of proteins and nanostructured solutes is governed by their topographical and chemical context," Proc. Natl. Acad. Sci. USA, 114 (51) 13345-13350 (2017) [Abstract]
  • K. E. Tiller, L. Li, S. Kumar, M. C. Julian, S. Garde, and P. M. Tessier (2017). "Arginine mutations in the complementarity-determining regions of Alzheimer’s antibodies display context-dependent affinity/specificity trade-offs," J. Biol. Chem., 292 (40), 16638-16652 (2017) [Abstract]
  • K. Srinivasan, S. Banerjee, S. Parimal, L. Sejergaard, R. Berkovich, B. Barquera, S. Garde, and S. M. Cramer (2017). "Single Molecule Force Spectroscopy and Molecular Dynamics Simulations as a Combined Platform for Probing Protein Face-Specific Binding," Langmuir, 33 (41), 10851-10860 (2017) [Abstract]
  • Julian MC, Li L, Garde S, Wilen R, and Tessier PM (2017). "Efficient affinity maturation of antibody variable domains requires co-selection of compensatory mutations to maintain thermodynamic stability," Scientific Reports, 7, 45259 [Publication, Abstract]
  • Parimal S, Garde S, Cramer SM (2017). "Effect of Guanidine and Arginine on Protein–Ligand Interactions in Multimodal Cation-Exchange Chromatography," Biotechnol Prog (in press) [Publication, Abstract]

2016

  • Wu E and Garde S (2016). "Understanding n-Octane Behavior near Graphene with Scaled Solvent-Solute Attractions," J. Phys. Chem. B, 120 (8), 2033-2042 [Publication, Abstract]

2015

  • Remsing RC, Xi E, Vembanur S, Sharma S, Debenedetti PG, Garde S, and Patel AJ (2015). "Pathways to dewetting in hydrophobic confinement," Proc. Natl. Acad. Sci. USA, 112 (27), 8181-8186 [Publication, arXiv, Abstract]
  • Wu E and Garde S (2015). "Lengthscale-Dependent Solvation and Density Fluctuations in n-Octane," J. Phys. Chem. B, 119 (29), 9287-9294 [Publication, Abstract]
  • Parimal S, Garde S, Cramer SM (2015). "Interactions of Multimodal Ligands with Proteins: Insights into Selectivity Using Molecular Dynamics Simulations," Langmuir, 31 (27), 7512-7523 [Publication, Abstract]
  • Garde S (2015). "Physical chemistry: Hydrophobic interactions in context," Nature, 517, 277-279 [Publication, Abstract]
  • Wu E, Coppens M-O and Garde S (2015). "Role of Arginine in Mediating Protein-Carbon Nanotube Interactions," Langmuir, 31 (5), 1683-1692 [Publication, Abstract]

2014

  • Garde S and Schlossman ML (2014). "Water at Functional Interfaces," MRS Bulletin, 39 (12), 1051-1053 [Publication, Abstract]
  • Li L and Garde S (2014). "Binding, structure, and dynamics of hydrophobic polymers near patterned self-assembled monolayer surfaces," Langmuir, 30 (47), 14204-14211 [Publication, Abstract]
  • Parimal S, Cramer SM and Garde S (2014). "Application of a Spherical Harmonics Expansion Approach for Calculating Ligand Density Distributions around Proteins," J. Phys. Chem. B, 118 (46), 13066-13076 [Publication, Abstract]
  • Godawat R, Jamadagni SN, Venkateshwaran V and Garde S (2014). "Connecting water correlations, fluctuations, and wetting phenomena at hydrophobic and hydrophilic surfaces," arXiv preprint [arXiv, Abstract]
  • Venkateshwaran V, Vembanur S and Garde S (2014). "Water-mediated ion-ion interactions are enhanced at the water vapor-liquid interface," Proc. Natl. Acad. Sci. USA, 111 (24), 8729-8734 [Publication, Abstract]
  • Vembanur S, Venkateshwaran V and Garde S (2014). "Structure and dynamics of single hydrophobic/ionic heteropolymers at the vapor-liquid interface of water," Langmuir, 30 (16), 4654-4661 [Publication, Abstract]
  • Patel AJ and Garde S (2014). "Efficient Method To Characterize the Context-Dependent Hydrophobicity of Proteins," J. Phys. Chem. B, 118 (6), 1564-1573 [Publication, Abstract]

2013

  • Vembanur S, Patel AJ, Sarupria S and Garde S (2013). "On the Thermodynamics and Kinetics of Hydrophobic Interactions at Interfaces," J. Phys. Chem. B, 117 (35), 10261--10270 [Publication, Abstract]
  • Fiore A, Venkateshwaran V and Garde S (2013). "Trimethylamine N-oxide (TMAO) and tertiary butyl alcohol (TBA) at hydrophobic interfaces: Insights from molecular dynamics simulations," Langmuir, 29 (25), 8017--8024 [Publication, Abstract]

2012

  • Patel AJP, Varilly P, Jamadagni SN, Hagan MF, Chandler D, and Garde S (2012). "Sitting at the Edge: How Biomolecules use Hydrophobicity to Tune Their Interactions and Function," J. Phys. Chem. B, 116 (8), 2498--2503 [Publication, arXiv, Abstract]
  • Acharya H, Mozdzierz NJ, Keblinski P, and Garde S (2012). "How Chemistry, Nanoscale Roughness, and the Direction of Heat Flow Affect Thermal Conductance of Solid--Water Interfaces," Ind. Eng. Chem. Res., 51 (4), 1767--1773 [Publication, Abstract]

2011

  • Garde S and Patel AJ (2011). "Unraveling the hydrophobic effect, one molecule at a time," Proc. Natl. Acad. Sci. USA, 108 (40), 16491-16492 [Publication, Abstract]
  • Freed AS, Garde S and Cramer SM (2011). "Molecular Simulations of Multimodal Ligand--Protein Binding: Elucidation of Binding Sites and Correlation with Experiments," J. Phys. Chem. B, 115 (45), 13320--13327 [Publication, Abstract]
  • Patel AJ, Varilly P, Jamadagni SN, Acharya H, Garde S and Chandler D (2011). "Extended surfaces modulate hydrophobic interactions of neighboring solutes," Proc. Natl. Acad. Sci. USA, 108 (43), 17678-17683 [Publication, arXiv, Abstract]
  • Patel AJ, Varilly P, Chandler D and Garde S (2011). "Quantifying Density Fluctuations in Volumes of All Shapes and Sizes Using Indirect Umbrella Sampling," J. Stat. Phys., 145 (2), 265-275 [Publication, arXiv, Abstract]
  • Jamadagni SN, Godawat R and Garde S (2011). "Hydrophobicity of Proteins and Interfaces: Insights from Density Fluctuations," Annu. Rev. Chem. Biomol. Eng., 2, 147-171 [Publication, Abstract]

2010

  • Garde S, Nigam A and Nigam KDP (2010). "Dedication of the issue to Prof. E. Bruce Nauman (1937-2009)," Chemical Engineering and Processing, 49, 633-634 [Abstract]
  • Kalra A, Garde S and Hummer G (2010). "Lubrication by molecularly thin water films confined between nanostructured membranes," Euro. Phys. J. - Special Topics, 189, 147-154 [Publication, Abstract]
  • Jamadagni SN, Bosoy C and Garde S (2010). "Designing heteropolymers to fold into unique structures via water-mediated interactions," J. Phys. Chem. B, 114 (42), 13282-13288 [Publication, Abstract]
  • Acharya H, Vembanur S, Jamadagni SN and Garde S (2010). "Mapping hydrophobicity at the nanoscale: Applications to heterogeneous surfaces and proteins," Faraday Discuss., 146, 353-365 [Publication, Abstract]
  • Sarupria S, Ghosh T, Garcia AE and Garde S (2010). "Studying pressure denaturation of a protein by molecular dynamics simulations," Proteins, 78 (7), 1641-1651 [Publication, Abstract]
  • Anand G, Jamadagni SN, Garde S and Belfort G (2010). "Self-Assembly of TMAO at Hydrophobic Interfaces and Its Effect on Protein Adsorption: Insights from Experiments and Simulations," Langmuir, 26 (12), 9695-9702 [Publication, Abstract]
  • Godawat R, Jamadagni SN and Garde S (2010). "Unfolding of Hydrophobic Polymers in Guanidinium Chloride Solutions," J. Phys. Chem. B, 114 (6), 2246-2254 [Publication, Abstract]

2009

  • Coridan RH, Schmidt NW, Lai GH, Godawat R, Krisch M, Garde S, Abbamonte P and Wong GCL (2009). "Hydration Dynamics at Femtosecond Time Scales and Angstrom Length Scales from Inelastic X-Ray Scattering," Phys. Rev. Lett., 103(23), 237402 [Publication, Abstract]
  • Chen CH, Málková S, Pingali SV, Long F, Garde S, Cho W and Schlossman ML (2009). "Configuration of PKCα-C2 Domain Bound to Mixed SOPC/SOPS Lipid Monolayers," Biophysical J. , 97(10), 2794-2802 [Publication, Abstract]
  • Fennell CJ, Bizjak A, Vlachy V, Dill KA, Sarupria S, Rajamani S and Garde S (2009). "Addition/Correction: Ion Pairing in Molecular Simulations of Aqueous Alkali Halide Solutions," J. Phys. Chem. B, 113 (44), 14837-14838 [Publication, Abstract]
  • Athawale MV, Jamadagni SN and Garde S (2009). "How hydrophobic hydration responds to solute size and attractions: Theory and simulations," J. Chem. Phys., 131, 115102 [Publication, Abstract]
  • Godawat R, Jamadagni SN and Garde S (2009). "Characterizing hydrophobicity of interfaces by using cavity formation, solute binding, and water correlations," Proc. Natl. Acad. Sci. USA, 106(36), 15119-15124 [Publication, Abstract]
  • Sarupria S and Garde S (2009). "Quantifying Water Density Fluctuations and Compressibility of Hydration Shells of Hydrophobic Solutes and Proteins," Phys. Rev. Lett., 103(3), 37803 [Publication, Abstract]
  • Jamadagni SN, Godawat R and Garde S (2009). "How Surface Wettability Affects the Binding, Folding, and Dynamics of Hydrophobic Polymers at Interfaces ," Langmuir, 25(22), 13092-13099 [Publication, Abstract]
  • Shenogina N, Godawat R, Keblinski P and Garde S (2009). "How Wetting and Adhesion Affect Thermal Conductance of a Range of Hydrophobic to Hydrophilic Aqueous Interfaces," Phys. Rev. Lett., 102(15), 156101 [Publication, Abstract]
  • Morrison CJ, Godawat R, McCallum SA, Garde S and Cramer S (2009). "Mechanistic studies of displacer–protein binding in chemically selective displacement systems using NMR and MD simulations," Biotechnol. Bioeng., 102(5), 1428-1437 [Publication, Abstract]
  • Jamadagni SN, Godawat R and Garde S (2009). "How Interfaces Affect Hydrophobically Driven Polymer Folding," J. Phys. Chem. B, 113(13), 4093-4101 [Publication, Abstract]

2008

  • Rasaiah JC, Garde S and Hummer G (2008). "Water in Nonpolar Confinement: From Nanotubes to Proteins and Beyond," Ann. Rev. Phys. Chem., 59, 713-740 [Publication, Abstract]
  • Shenogina N, Keblinski P and Garde S (2008). "Strong frequency dependence of dynamical coupling between protein and water," J. Chem. Phys., 129, 155105 [Publication, Abstract]
  • Goel G, Athawale MV, Garde S and Truskett TM (2008). "Attractions, Water Structure, and Thermodynamics of Hydrophobic Polymer Collapse," J. Phys. Chem. B, 112(42), 13193-13196 [Publication, Abstract]
  • Athawale MV, Sarupria S and Garde S (2008). "Enthalpy-Entropy Contributions to Salt and Osmolyte Effects on Molecular-Scale Hydrophobic Hydration and Interactions," J. Phys. Chem. B, 112(18), 5661-5670 [Publication, Abstract]
  • Godawat R, Jamadagni SN, Errington JR and Garde S (2008). "Structure, Stability, and Rupture of Free and Supported Liquid Films and Assemblies in Molecular Simulations," Ind. Eng. Chem. Res., 47(10), 3582-3590 [Publication, Abstract]

2007

  • Pereira B, Jain S, Sarupria S, Yang L and Garde S (2007). "Pressure dependence of the compressibility of a micelle and a protein: insights from cavity formation analysis," Mol. Phys., 105 (2), 189-199 [Publication, Abstract]
  • Yang L and Garde S (2007). "Modeling the selective partitioning of cations into negatively charged nanopores in water," J. Chem. Phys., 126, 084706 [Abstract]
  • Shemella P, Pereira B, Zhang Y, Van Roey P, Belfort G, Garde S and Nayak SK (2007). "Mechanism for intein C-terminal cleavage: A proposal from quantum mechanical calculations," Biophysical J., 92 (3), 847-853 [Publication, Abstract]
  • Athawale MV, Goel G, Ghosh T, Truskett TM and Garde S (2007). "Effects of lengthscales and attractions on the collapse of hydrophobic polymers in water," Proc. Natl. Acad. Sci. USA, 104 (3), 733--738 [Publication, Abstract]

2006

  • Tikhonov AM, Patel H, Garde S and Schlossman ML (2006). "Tail Ordering Due to Headgroup Hydrogen Bonding Interactions in Surfactant Monolayers at the Water−Oil Interface," J. Phys. Chem. B, 110 (39), 19093-19096 [Publication, Abstract]
  • Jain S, Garde S and Kumar SK (2006). "Do Inverse Monte Carlo Algorithms Yield Thermodynamically Consistent Interaction Potentials?," Ind. Eng. Chem. Res., 45 (16), 5614-5618 [Publication, Abstract]
  • Pereira B, Jain S and Garde S (2006). "Quantifying the protein core flexibility through analysis of cavity formation ," J. Chem. Phys., 124, 074704 [Publication, Abstract]
  • Patel HA, Garde S and Nauman EB (2006). "Detailed molecular simulations to investigate multicomponent diffusion models," AIChE J, 52 (4), 1304-1307 [Publication, Abstract]

2005

  • Liu H, Garde S and Kumar SK (2005). "Direct determination of phase behavior of square-well fluids," J. Chem. Phys., 123, 174505 [Publication, Abstract]
  • Patel HA, Garde S and Keblinski P (2005). "Thermal Resistance of Nanoscopic Liquid−Liquid Interfaces:  Dependence on Chemistry and Molecular Architecture ," Nano Lett., 5 (11), 2225-2231 [Publication, Abstract]
  • Rajamani S, Truskett TM and Garde S (2005). "Hydrophobic hydration from small to large lengthscales: Understanding and manipulating the crossover," Proc. Natl. Acad. Sci. USA, 102 (27), 9475-9480 [Publication, Abstract]
  • Athawale MV, Dordick JS and Garde S (2005). "Osmolyte Trimethylamine-N-Oxide Does Not Affect the Strength of Hydrophobic Interactions: Origin of Osmolyte Compatibility ," Biophysical J., 89 (2), 858-866 [Publication, Abstract]
  • Ashbaugh HS, Patel HA, Kumar SK and Garde S (2005). "Mesoscale model of polymer melt structure: Self-consistent mapping of molecular correlations to coarse-grained potentials," J. Chem. Phys., 122, 104908 [Publication, Abstract]
  • Garde S, Schadler LS and Siegel RW (2005). "Molecularium Explores the World of Materials," MRS Bulletin, 30 (02), 132-133 [Publication, Abstract]
  • Ghosh T, Kalra A and Garde S (2005). "On the Salt-Induced Stabilization of Pair and Many-body Hydrophobic Interactions ," J. Phys. Chem. B, 109 (1), 642-651 [Publication, Abstract]

2004

  • Yang L, Dordick JS, and Garde S (2004). "Hydration of Enzyme in Nonaqueous Media Is Consistent with Solvent Dependence of Its Activity," Biophys. J., 87 (2), 812-821 [Publication, Abstract]
  • Xia F, Nagrath D, Garde S, and Cramer SM (2004). "Evaluation of selectivity changes in HIC systems using a preferential interaction based analysis," Biotechnol. Bioeng., 87 (3), 354-363 [Publication, Abstract]
  • Rajamani S, Ghosh T, and Garde S (2004). "Size dependent ion hydration, its asymmetry, and convergence to macroscopic behavior," J. Chem. Phys., 120 (9), 4457-4466 [Publication, Abstract]
  • Kalra A, Hummer G, and Garde S (2004). "Methane Partitioning and Transport in Hydrated Carbon Nanotubes," J. Phys. Chem. B, 108 (2), 544-549 [Publication, Abstract]

2003

  • Ghosh T, Garde S, and Garcia AE (2003). "Role of Backbone Hydration and Salt-Bridge Formation in Stability of a-Helix in Solution," Biophys. J., 85 (5), 3187-3193 [Publication, Abstract]
  • Patel HA, Nauman EB, and Garde S (2003). "Molecular structure and hydrophobic solvation thermodynamics at an octane-water interface," J. Chem. Phys., 119 (17), 9199-9206 [Publication, Abstract]
  • Kalra A, Garde S, and Hummer G (2003). "Osmotic water transport through carbon nanotube membranes," Proc. Natl. Acad. Sci., 100 (8), 10175-10180 [Publication, Abstract]
  • Bystroff C and Garde S (2003). "Helix propensities of short peptides: Molecular dynamics versus bioinformatics," Proteins, 50 (4), 552-562 [Publication, Abstract]
  • Ghosh T, Garcia AE, and Garde S (2003). "Water-Mediated Three-Particle Interactions between Hydrophobic Solutes:? Size, Pressure, and Salt Effects," J. Phys. Chem. B, 107 (2), 612-617 [Publication, Abstract]

2002

  • Garde S, Yang L, Dordick JS, and Paulaitis ME (2002). "Molecular dynamics simulation of C8E5 micelle in explicit water: structure and hydrophobic solvation thermodynamics," Mol. Phys., 100 (14), 2299-2306 [Publication, Abstract]
  • Ghosh T, Garcia AE, and Garde S (2002). "Enthalpy and entropy contributions to the pressure dependence of hydrophobic interactions," J. Chem. Phys., 116 (6), 2480-2486 [Publication, Abstract]

2001

  • Garde S, Hummer G and Khare R (2001). "Effect of Chain Length on Microscopic Density Fluctuations and Solvation in Polymeric Fluids," Polymeric Materials: Science and Engineering, 85, 449 [Abstract]
  • Ghosh T, Garcia AE and Garde S (2001). "Molecular dynamics simulations of pressure effects on hydrophobic interactions," J. Am. Chem. Soc., 123 (44), 10997-11003 [Publication, Abstract]
  • Garde S and Ashbaugh HS (2001). "Temperature dependence of hydrophobic hydration and entropy convergence in an isotropic model of water," J. Chem. Phys., 115 (2), 977 [Publication, Abstract]
  • Kalra A, Tugcu N, Cramer SM and Garde S (2001). "Salting-in and salting-out of hydrophobic solutes in aqueous salt solutions," J. Phys. Chem. B, 105 (27), 6380-6386 [Publication, Abstract]
  • Hummer G, Garcia, AE and Garde S (2001). "Helix nucleation kinetics from molecular simulations in explicit solvent," Proteins: Structure, Function, and Bioinformatics, 42 (1), 77-84 [Publication, Abstract]

2000

  • Hummer G, Garcia, AE and Garde S (2000). "Conformational Diffusion and Helix Formation Kinetics," Phys. Rev. Lett., 85 (12), 2637-2640 [Publication, Abstract]
  • Hummer G, Garde S, Garcia AE and Pratt LR (2000). "New perspectives on hydrophobic effects," Chem. Phys., 258 (2), 349-370 [Publication, Abstract]
  • Garde S, Khare R and Hummer G (2000). "Microscopic density fluctuations and solvation in polymeric fluids," J. Chem. Phys., 112 (3), 1574 [Publication, Abstract]

1999

  • Pratt LR, Garde S and Hummer G (1999). "Theories of hydrophobic effects and the description of free volume in complex liquids," NATO Science Series: New Approaches to Problems in Liquid State Theory, 529, 407-420 [Publication, Abstract]
  • Hummer G, Garde S, Garcia AE, Paulaitis ME and Pratt LR (1999). "Conformational equilibria of alkanes in aqueous solution: Relationship to water structure near hydrophobic solutes," Biophys. J., 77 (2), 645-654 [Publication, Abstract]
  • Garde S, Hummer G and Paulaitis ME (1999). "Hydration of the tetramethylammonium ion: From water structure to the free energy of hydration," AIP Conf. Proc., 492, 202-224 [Publication, Abstract]
  • Gomez MA, Pratt LR, Hummer G and Garde S (1999). "Molecular realism in default models for information theories of hydrophobic effects," J. Phys. Chem. B, 103 (18), 3520-3523 [Publication, Abstract]
  • Garde S, Garcia AE, Pratt LR and Hummer G (1999). "Temperature dependence of the solubility of non-polar gases in water," Biophys. Chem., 78 (1), 21-32 [Publication, Abstract]

1998

  • Hummer G, Garde S, Garcia AE, Paulaitis ME and Pratt LR (1998). "Hydrophobic Effects on a Molecular Scale," J. Phys. Chem. B, 102 (51), 10469-10482 [Publication, Abstract]
  • Garde S, Hummer G and Paulaitis ME (1998). "Free energy of hydration of a molecular ionic solute: Tetramethylammonium ion," J. Chem. Phys., 108 (4), 1552 [Publication, Abstract]
  • Hummer G and Garde S (1998). "Cavity Expulsion and Weak Dewetting of Hydrophobic Solutes in Water," Phys. Rev. Lett., 80 (19), 4193-4196 [Publication, Abstract]
  • Hummer, G, Pratt LR, Garcia AE, Garde S, Berne BJ and Rick SW (1998). "Reply to Comment on "Electrostatic Potentials and Free Energies of Solvation of Polar and Charged Molecules"," J. Phys. Chem. B, 102 (19), 3841-3843 [Publication, Abstract]
  • Hummer G, Garde S, Garcia AE, Paulaitis ME and Pratt LR (1998). "The pressure dependence of hydrophobic interactions is consistent with the observed pressure denaturation of proteins," Proc. Natl. Acad. Sci., 95 (4), 1552-1555 [Publication, Abstract]

1996

  • Garde, S, Hummer G, Paulaitis ME and Garcia AE (1996). "Hydration of biological macromolecules: from small solutes to proteins and nucleic acids," MRS Proceedings, 463 (1), 21-26 [Publication, Abstract]
  • Garde, S, Hummer G, Garcia AE, Paulaitis ME and Pratt LR (1996). "Origin of entropy convergence in hydrophobic hydration and protein folding," Phys. Rev. Lett., 77 (24), 4966-4968 [Publication, Abstract]
  • Hummer G, Garde S, Garcia AE, Pohorille A and Pratt LR (1996). "An information theory model of hydrophobic interactions," Proc. Natl. Acad. Sci., 93 (17), 8951-8955 [Publication, Abstract]
  • Paulaitis ME, Garde S and Ashbaugh HS (1996). "The hydrophobic effect," Curr. Opin. Colloid Interface Sci., 1 (3), 376-383 [Publication, Abstract]
  • Garde S, Hummer G, Garcia AE, Pratt LR and Paulaitis ME (1996). "Hydrophobic hydration: Inhomogeneous water structure near nonpolar molecular solutes," Phys. Rev. E, 53 (5), R4310-R4313 [Publication, Abstract]
  • Garde S, Hummer G and Paulaitis ME (1996). "Hydrophobic interactions: conformational equilibria and the association of non-polar molecules in water," Faraday Discuss., 103, 125-139 [Publication, Abstract]

1994

  • Paulaitis ME, Ashbaugh HS and Garde S (1994). "The entropy of hydration of simple hydrophobic solutes," Biophys. Chem., 51 (2), 349-357 [Publication, Abstract]