Effect of material flexibility on the thermodynamics and kinetics of hydrophobically induced evaporation of water

Role of water and steric constraints in the kinetics of cavity–ligand unbinding

(2015) Pratyush Tiwary et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Direct calculation of ice homogeneous nucleation rate for a molecular model of water

(2015) Amir Haji-Akbari et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Pathways to dewetting in hydrophobic confinement

(2015) Richard C. Remsing et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

The role of material flexibility on the drying transition of water between hydrophobic objects: A thermodynamic analysis

(2014) Y. Elia Altabet et al.   JOURNAL OF CHEMICAL PHYSICS

Role of Desolvation in Thermodynamics and Kinetics of Ligand Binding to a Kinase

(2014) Jagannath Mondal et al.   Journal of Chemical Theory and Computation

Activation of G-protein-coupled receptors correlates with the formation of a continuous internal water pathway

(2014) Shuguang Yuan et al.   Nature Communications

From Metadynamics to Dynamics

(2013) Pratyush Tiwary et al.   PHYSICAL REVIEW LETTERS

How hydrophobic drying forces impact the kinetics of molecular recognition

(2013) J. Mondal et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Kinetic, Energetic, and Mechanical Differences between Dark-State Rhodopsin and Opsin

(2013) Shiho Kawamura et al.   STRUCTURE

Computational Studies of Pressure, Temperature, and Surface Effects on the Structure and Thermodynamics of Confined Water

(2012) N. Giovambattista et al.   Annual Review of Physical Chemistry

Are Hydrodynamic Interactions Important in the Kinetics of Hydrophobic Collapse?

(2012) Jingyuan Li et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Free Energy Barriers to Evaporation of Water in Hydrophobic Confinement

(2012) Sumit Sharma et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Evaporation rate of water in hydrophobic confinement

(2012) S. Sharma et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Ligand-Specific Interactions Modulate Kinetic, Energetic, and Mechanical Properties of the Human β2 Adrenergic Receptor

(2012) Michael Zocher et al.   STRUCTURE

Evaporation Length Scales of Confined Water and Some Common Organic Liquids

(2011) Claudio A. Cerdeiriña et al.   Journal of Physical Chemistry Letters

Nanomechanics of functional and pathological amyloid materials

(2011) Tuomas P. J. Knowles et al.   Nature Nanotechnology

Pathway and mechanism of drug binding to G-protein-coupled receptors

(2011) Ron O. Dror et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

(2010) Hari Acharya et al.   FARADAY DISCUSSIONS

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

(2010) Limei Xu 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

Instantaneous Liquid Interfaces

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

Nanoconfinement controls stiffness, strength and mechanical toughness of β-sheet crystals in silk

(2010) Sinan Keten et al.   NATURE MATERIALS

Pore opening and closing of a pentameric ligand-gated ion channel

(2010) F. Zhu et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Hydrophobic Interactions and Dewetting between Plates with Hydrophobic and Hydrophilic Domains

(2009) Lan Hua et al.   Journal of Physical Chemistry C

Forward flux sampling for rare event simulations

(2009) Rosalind J Allen et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Water Modeled As an Intermediate Element between Carbon and Silicon†

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

Hydrophobicity of protein surfaces: Separating geometry from chemistry

(2008) N. Giovambattista et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Water in Nonpolar Confinement: From Nanotubes to Proteins and Beyond

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