An improved coarse-grained model of solvation and the hydrophobic effect

Interfacial thermodynamics of confined water near molecularly rough surfaces

(2010) Jeetain Mittal et al.   FARADAY DISCUSSIONS

Mapping hydrophobicity at the nanoscale: Applications to heterogeneous surfaces and proteins

(2010) Hari Acharya et al.   FARADAY DISCUSSIONS

Hydration in Discrete Water. A Mean Field, Cellular Automata Based Approach to Calculating Hydration Free Energies

(2010) Piotr Setny et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Liquid−Vapor Oscillations of Water Nanoconfined between Hydrophobic Disks: Thermodynamics and Kinetics

(2010) Limei Xu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Good Practices in Free-Energy Calculations

(2010) Andrew Pohorille et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Fluctuations of Water near Extended Hydrophobic and Hydrophilic Surfaces

(2010) Amish J. Patel et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Prediction of Aggregation Prone Regions of Therapeutic Proteins

(2010) Naresh Chennamsetty et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Lattice Gas Model for the Drying-Mediated Self-Assembly of Nanorods

(2010) Claudia G. Sztrum-Vartash et al.   Journal of Physical Chemistry C

Recognition of a signal peptide by the signal recognition particle

(2010) Claudia Y. Janda et al.   NATURE

Bridging fluctuating hydrodynamics and molecular dynamics simulations of fluids

(2009) Nikolaos K. Voulgarakis et al.   JOURNAL OF CHEMICAL PHYSICS

Quantifying Water Density Fluctuations and Compressibility of Hydration Shells of Hydrophobic Solutes and Proteins

(2009) Sapna Sarupria et al.   PHYSICAL REVIEW LETTERS

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

(2009) R. Godawat et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Design of therapeutic proteins with enhanced stability

(2009) N. Chennamsetty et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Dewetting and Hydrophobic Interaction in Physical and Biological Systems

(2008) Bruce J. Berne et al.   Annual Review of Physical Chemistry

Recent advances in implicit solvent-based methods for biomolecular simulations

(2008) Jianhan Chen et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Statistically optimal analysis of samples from multiple equilibrium states

(2008) Michael R. Shirts et al.   JOURNAL OF CHEMICAL PHYSICS

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

The Role of Solvent Fluctuations in Hydrophobic Assembly†

(2008) Adam P. Willard et al.   JOURNAL OF PHYSICAL CHEMISTRY B

How Interfaces Affect Hydrophobically Driven Polymer Folding†

(2008) Sumanth N. Jamadagni et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Water Modeled As an Intermediate Element between Carbon and Silicon†

(2008) Valeria Molinero et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Static and dynamic correlations in water at hydrophobic interfaces

(2008) J. Mittal et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The role of collective motion in examples of coarsening and self-assembly

(2008) Stephen Whitelam et al.   Soft Matter

Water in Nonpolar Confinement: From Nanotubes to Proteins and Beyond

(2007) Jayendran C. Rasaiah et al.   Annual Review of Physical Chemistry

Implicit modeling of nonpolar solvation for simulating protein folding and conformational transitions

(2007) Jianhan Chen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS