Adhesive water networks facilitate binding of protein interfaces
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Molecular docking as a popular tool in drug design, an in silico travelQuantifying the molecular origins of opposite solvent effects on protein-protein interactionsAn antifreeze protein folds with an interior network of more than 400 semi-clathrate watersOn docking, scoring and assessing protein-DNA complexes in a rigid-body frameworkThree steps to gold: mechanism of protein adsorption revealed by Brownian and molecular dynamics simulations.Mechanism of the Association Pathways for a Pair of Fast and Slow Binding Ligands of HIV-1 Protease.Hydration studies on the archaeal protein Sso7d using NMR measurements and MD simulationsKinetic rate constant prediction supports the conformational selection mechanism of protein binding.The role of conserved waters in conformational transitions of Q61H K-ras.Energy dissipation of nanoconfined hydration layer: long-range hydration on the hydrophilic solid surface.Solvated protein-DNA docking using HADDOCK.Enzymatic turnover of macromolecules generates long-lasting protein-water-coupled motions beyond reaction steady stateBlind prediction of interfacial water positions in CAPRIOn the binding affinity of macromolecular interactions: daring to ask why proteins interact.Shear-stress function approach of hydration layer based on the Green-Kubo formula.Dispersion Interactions and the Stability of Amine Dimers.Dissociation of a Dynamic Protein Complex Studied by All-Atom Molecular Simulations.Shape complementarity and hydrogen bond preferences in protein-protein interfaces: implications for antibody modeling and protein-protein docking.Dielectric response of the water hydration layer around spherical solutes.Signatures of Solvation Thermodynamics in Spectra of Intermolecular Vibrations.Crowding induces differences in the diffusion of thermophilic and mesophilic proteins: a new look at neutron scattering results.On the ability of molecular dynamics simulation and continuum electrostatics to treat interfacial water molecules in protein-protein complexes.Computational probe of cavitation events in protein systems.Hydrogen bond cooperativity and anticooperativity within the water hexamer.Complete protein-protein association kinetics in atomic detail revealed by molecular dynamics simulations and Markov modelling.Enhancing Structure Prediction and Design of Soluble and Membrane Proteins with Explicit Solvent-Protein Interactions.The Role of Water Distribution Controlled by Transmembrane Potentials in the Cytochrome c-Cardiolipin Interaction: Revealing from Surface-Enhanced Infrared Absorption Spectroscopy.Triggering molecular assembly at the mesoscale for advanced Raman detection of proteins in liquid.Perturbation of hydration layer in solvated proteins by external electric and electromagnetic fields: Insights from non-equilibrium molecular dynamics.Water-mediated long-range interactions between the internal vibrations of remote proteins.How water mediates the long-range interactions between remote protein molecules.Spatially resolved dielectric constant of confined water and its connection to the non-local nature of bulk water.Piezoelectric allostery of protein.An Efficient Implementation of the Nwat-MMGBSA Method to Rescore Docking Results in Medium-Throughput Virtual Screenings.On the structure of water and chloride ion interactions with a peptide backbone in solutionIn Silico Studies of Small Molecule Interactions with Enzymes Reveal Aspects of Catalytic FunctionThe Inclusion of Water Molecules in Residue Interaction Networks Identifies Additional Central Residues
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Adhesive water networks facilitate binding of protein interfaces
description
article publié dans Nature Communications
@fr
im März 2011 veröffentlichter wissenschaftlicher Artikel
@de
scientific article published in Nature Communications
@en
wetenschappelijk artikel
@nl
наукова стаття, опублікована в березні 2011
@uk
name
Adhesive water networks facilitate binding of protein interfaces
@en
Adhesive water networks facilitate binding of protein interfaces
@nl
type
label
Adhesive water networks facilitate binding of protein interfaces
@en
Adhesive water networks facilitate binding of protein interfaces
@nl
prefLabel
Adhesive water networks facilitate binding of protein interfaces
@en
Adhesive water networks facilitate binding of protein interfaces
@nl
P2093
P2860
P356
P1476
Adhesive water networks facilitate binding of protein interfaces
@en
P2093
Mazen Ahmad
Tihamér Geyer
Volkhard Helms
P2860
P2888
P356
10.1038/NCOMMS1258
P407
P577
2011-03-29T00:00:00Z