Communication: On the locality of Hydrogen bond networks at hydrophobic interfaces

Coupling different levels of resolution in molecular simulations

(2010) Simón Poblete et al.   JOURNAL OF CHEMICAL PHYSICS

Instantaneous Liquid Interfaces

(2010) Adam P. Willard et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?

(2009) Han Wang et al.   EUROPEAN PHYSICAL JOURNAL E

The water-benzene interaction: Insight from electronic structure theories

(2009) Jie Ma et al.   JOURNAL OF CHEMICAL PHYSICS

Versatile Object-Oriented Toolkit for Coarse-Graining Applications

(2009) Victor Rühle et al.   Journal of Chemical Theory and Computation

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

(2009) Sapna Sarupria et al.   PHYSICAL REVIEW LETTERS

Modeling diffusive dynamics in adaptive resolution simulation of liquid water

(2008) Silvina Matysiak 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

How Hydrophobic Buckminsterfullerene Affects Surrounding Water Structure

(2008) Dahlia R. Weiss et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Static dielectric response of icosahedral fullerenes fromC60toC2160characterized by an all-electron density functional theory

(2008) Rajendra R. Zope et al.   PHYSICAL REVIEW 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

Water as an Active Constituent in Cell Biology

(2007) Philip Ball   CHEMICAL REVIEWS

Coarse-grained models of protein folding: toy models or predictive tools?

(2007) Cecilia Clementi   CURRENT OPINION IN STRUCTURAL BIOLOGY