Application of Hydration Thermodynamics to the Evaluation of Protein Structures and Protein-Ligand Binding

Evaluation of protein-ligand binding free energy focused on its entropic components

(2011) Shuntaro Chiba et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Introduction to Special Issue on Water and Associated Liquids

(2011) John D. Weeks et al.   JOURNAL OF STATISTICAL PHYSICS

Free-energy function for discriminating the native fold of a protein from misfolded decoys

(2011) Satoshi Yasuda et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

The role of conformational entropy in molecular recognition by calmodulin

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

Charges in the hydrophobic interior of proteins

(2010) D. G. Isom et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Do salt bridges stabilize proteins? A continuum electrostatic analysis

(2010) Zachary S. Hendsch et al.   PROTEIN SCIENCE

Entropic Cost of Protein−Ligand Binding and Its Dependence on the Entropy in Solution

(2009) Sheeba Jem Irudayam et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Massively parallel computation of absolute binding free energy with well-equilibrated states

(2009) Hideaki Fujitani et al.   PHYSICAL REVIEW E

Free-energy function based on an all-atom model for proteins

(2009) Takashi Yoshidome et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Molecular origin of the hydrophobic effect: Analysis using the angle-dependent integral equation theory

(2008) Masahiro Kinoshita   JOURNAL OF CHEMICAL PHYSICS

Structural coupling between FKBP12 and buried water

(2008) Szilvia Szep et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

OPUS-PSP: An Orientation-dependent Statistical All-atom Potential Derived from Side-chain Packing

(2007) Mingyang Lu et al.   JOURNAL OF MOLECULAR BIOLOGY

Distance-scaled, finite ideal-gas reference state improves structure-derived potentials of mean force for structure selection and stability prediction

(2002) Hongyi Zhou et al.   PROTEIN SCIENCE