Non-interacting surface solvation and dynamics in protein-protein interactions

Proteins Feel More Than They See: Fine-Tuning of Binding Affinity by Properties of the Non-Interacting Surface

(2014) Panagiotis L. Kastritis et al.   JOURNAL OF MOLECULAR BIOLOGY

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

(2013) Sander Pronk et al.   BIOINFORMATICS

Molecular origins of binding affinity: seeking the Archimedean point

(2013) Panagiotis L Kastritis et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Solvated protein–DNA docking using HADDOCK

(2013) Marc van Dijk et al.   JOURNAL OF BIOMOLECULAR NMR

Solvated protein-protein docking using Kyte-Doolittle-based water preferences

(2013) Panagiotis L. Kastritis et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

On the binding affinity of macromolecular interactions: daring to ask why proteins interact

(2012) P. L. Kastritis et al.   Journal of the Royal Society Interface

Community-Wide Assessment of Protein-Interface Modeling Suggests Improvements to Design Methodology

(2011) Sarel J. Fleishman et al.   JOURNAL OF MOLECULAR BIOLOGY

A structure-based benchmark for protein-protein binding affinity

(2011) Panagiotis L. Kastritis et al.   PROTEIN SCIENCE

Advances in automated NMR protein structure determination

(2011) Paul Guerry et al.   QUARTERLY REVIEWS OF BIOPHYSICS

Are Scoring Functions in Protein−Protein Docking Ready To Predict Interactomes? Clues from a Novel Binding Affinity Benchmark

(2010) Panagiotis L. Kastritis et al.   JOURNAL OF PROTEOME RESEARCH

Calculation of the free energy of association for protein complexes

(2010) Nancy Horton et al.   PROTEIN SCIENCE

High-throughput crystallography for structural genomics☆

(2009) Andrzej Joachimiak   CURRENT OPINION IN STRUCTURAL BIOLOGY

Protein structure determination in living cells by in-cell NMR spectroscopy

(2009) Daisuke Sakakibara et al.   NATURE

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation

Structural and dynamic roles of permanent water molecules in ligand molecular recognition by chicken liver bile acid binding protein

(2008) Piero Ricchiuto et al.   JOURNAL OF MOLECULAR RECOGNITION

Hydration Water and Bulk Water in Proteins Have Distinct Properties in Radial Distributions Calculated from 105 Atomic Resolution Crystal Structures

(2008) Xianfeng Chen et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Enthalpy−Entropy Compensation Reveals Solvent Reorganization as a Driving Force for Supramolecular Encapsulation in Water

(2008) Dennis H. Leung et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Protein–protein interaction and quaternary structure

(2008) Joël Janin et al.   QUARTERLY REVIEWS OF BIOPHYSICS