Hydration dynamics of a lipid membrane: Hydrogen bond networks and lipid-lipid associations

Revisiting Hydrogen Bond Thermodynamics in Molecular Simulations

(2017) Liel Sapir et al.   Journal of Chemical Theory and Computation

Water Structure at the Lipid Multibilayer Surface: Anionic Versus Cationic Head Group Effects

(2016) Achintya Kundu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Hydration Dynamics of a Peripheral Membrane Protein

(2016) Olivier Fisette et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Lipid Carbonyl Groups Terminate the Hydrogen Bond Network of Membrane-Bound Water

(2015) Tatsuhiko Ohto et al.   Journal of Physical Chemistry Letters

Biological Water or Rather Water in Biology?

(2015) Pavel Jungwirth   Journal of Physical Chemistry Letters

Anomalously Rapid Hydration Water Diffusion Dynamics Near DNA Surfaces

(2015) John M. Franck et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Preface: Special Topic on Biological Water

(2014) Gerhard Hummer et al.   JOURNAL OF CHEMICAL PHYSICS

Water Dynamics in Protein Hydration Shells: The Molecular Origins of the Dynamical Perturbation

(2014) Aoife C. Fogarty et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Reorientational Jump Dynamics and Its Connections to Hydrogen Bond Relaxation in Molten Acetamide: An All-Atom Molecular Dynamics Simulation Study

(2014) Suman Das et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Mosaic of Water Orientation Structures at a Neutral Zwitterionic Lipid/Water Interface Revealed by Molecular Dynamics Simulations

(2014) Suyong Re et al.   Journal of Physical Chemistry Letters

Vibrational spectroscopy of water in hydrated lipid multi-bilayers. III. Water clustering and vibrational energy transfer

(2013) S. M. Gruenbaum et al.   JOURNAL OF CHEMICAL PHYSICS

Layerwise decomposition of water dynamics in reverse micelles: A simulation study of two-dimensional infrared spectrum

(2013) Rajib Biswas et al.   JOURNAL OF CHEMICAL PHYSICS

Simulation of Influence of Bilayer Melting on Dynamics and Thermodynamics of Interfacial Water

(2013) Ananya Debnath et al.   PHYSICAL REVIEW LETTERS

Membrane Protein Simulations Using AMBER Force Field and Berger Lipid Parameters

(2012) Arnau Cordomí et al.   Journal of Chemical Theory and Computation

Reorientation and Allied Dynamics in Water and Aqueous Solutions

(2011) Damien Laage et al.   Annual Review of Physical Chemistry

Entropy and dynamics of water in hydration layers of a bilayer

(2010) Ananya Debnath et al.   JOURNAL OF CHEMICAL PHYSICS

Large Angular Jump Mechanism Observed for Hydrogen Bond Exchange in Aqueous Perchlorate Solution

(2010) M. Ji et al.   SCIENCE

What ice can teach us about water interactions: a critical comparison of the performance of different water models

(2008) C. Vega et al.   FARADAY DISCUSSIONS

Reversible geminate recombination of hydrogen-bonded water molecule pair

(2008) Omer Markovitch et al.   JOURNAL OF CHEMICAL PHYSICS

Solvent and lipid dynamics of hydrated lipid bilayers by incoherent quasielastic neutron scattering

(2008) J. Swenson 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

Thermal Signature of Hydrophobic Hydration Dynamics

(2008) Johan Qvist et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY