Is it the shape of the cavity, or the shape of the water in the cavity?

Understanding Pre-Structured Motifs (PreSMos) in Intrinsically Unfolded Proteins

(2012) Si-Hyung Lee et al.   CURRENT PROTEIN & PEPTIDE SCIENCE

Intrinsically disordered proteins

(2012) Peter Tompa et al.   PHYSICS TODAY

Aromatic Rings in Chemical and Biological Recognition: Energetics and Structures

(2011) Laura M. Salonen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Contribution of Explicit Solvent Effects to the Binding Affinity of Small-Molecule Inhibitors in Blood Coagulation Factor Serine Proteases

(2011) Robert Abel et al.   ChemMedChem

A GRID-Derived Water Network Stabilizes Molecular Dynamics Computer Simulations of a Protease

(2011) Hannes G. Wallnoefer et al.   Journal of Chemical Information and Modeling

AcquaAlta: A Directional Approach to the Solvation of Ligand–Protein Complexes

(2011) Gianluca Rossato et al.   Journal of Chemical Information and Modeling

Dissecting the Energetics of Hydrophobic Hydration of Polypeptides

(2011) Silvina Matysiak et al.   JOURNAL OF PHYSICAL CHEMISTRY B

From Head to Tail: Structure, Solvation, and Hydrogen Bonding of Carboxylate Surfactants at the Organic–Water Interface

(2011) Daniel K. Beaman et al.   Journal of Physical Chemistry C

Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the “Hydrophobic Wall” of Carbonic Anhydrase

(2011) Jasmin Mecinović et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Correlated structural kinetics and retarded solvent dynamics at the metalloprotease active site

(2011) Moran Grossman et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Mechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase

(2011) P. W. Snyder et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Ligand binding to protein-binding pockets with wet and dry regions

(2011) L. Wang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Extent of enthalpy-entropy compensation in protein-ligand interactions

(2011) Tjelvar S. G. Olsson et al.   PROTEIN SCIENCE

Specific Anion Effects on Water Structure Adjacent to Protein Monolayers†

(2010) Xin Chen et al.   LANGMUIR

The structure of ambient water

(2010) Gary N.I. Clark et al.   MOLECULAR PHYSICS

The role of conformational entropy in molecular recognition by calmodulin

(2010) Michael S Marlow et al.   Nature Chemical Biology

Hydration Site Thermodynamics Explain SARs for Triazolylpurines Analogues Binding to the A2A Receptor

(2010) Christopher Higgs et al.   ACS Medicinal Chemistry Letters

Hydrophobic Solvation: A 2D IR Spectroscopic Inquest

(2009) Artem A. Bakulin et al.   ACCOUNTS OF CHEMICAL RESEARCH

Water in the Half Shell: Structure of Water, Focusing on Angular Structure and Solvation

(2009) Kim A. Sharp et al.   ACCOUNTS OF CHEMICAL RESEARCH

Neutron Structure of Human Carbonic Anhydrase II: Implications for Proton Transfer

(2009) S. Zoë Fisher et al.   BIOCHEMISTRY

Vibrational Spectroscopy as a Probe of Structure and Dynamics in Liquid Water

(2009) H. J. Bakker et al.   CHEMICAL REVIEWS

From Franklin to Today: Toward a Molecular Level Understanding of Bonding and Adsorption at the Oil−Water Interface

(2009) Cathryn L. McFearin et al.   Journal of Physical Chemistry C

High-energy water sites determine peptide binding affinity and specificity of PDZ domains

(2009) Thijs Beuming et al.   PROTEIN SCIENCE

Predicting Hydrogen-Bond Strengths from Acid−Base Molecular Properties. The pKaSlide Rule: Toward the Solution of a Long-Lasting Problem

(2008) Paola Gilli et al.   ACCOUNTS OF CHEMICAL RESEARCH

Dewetting and Hydrophobic Interaction in Physical and Biological Systems

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

Characterizing hydration state in solution using terahertz time-domain attenuated total reflection spectroscopy

(2008) Takashi Arikawa et al.   CHEMICAL PHYSICS LETTERS

Carbonic Anhydrase as a Model for Biophysical and Physical-Organic Studies of Proteins and Protein−Ligand Binding

(2008) Vijay M. Krishnamurthy et al.   CHEMICAL REVIEWS

Robust Classification of “Relevant” Water Molecules in Putative Protein Binding Sites

(2008) Alessio Amadasi et al.   JOURNAL OF MEDICINAL CHEMISTRY

The Thermodynamics of Protein–Ligand Interaction and Solvation: Insights for Ligand Design

(2008) Tjelvar S.G. Olsson et al.   JOURNAL OF MOLECULAR BIOLOGY

Negative hyperconjugation of some fluorine containing groups

(2008) Otto Exner et al.   NEW JOURNAL OF CHEMISTRY

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

Water as an Active Constituent in Cell Biology

(2007) Philip Ball   CHEMICAL REVIEWS