Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
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The Impact of Introducing a Histidine into an Apolar Cavity Site on Docking and Ligand RecognitionDissecting the hydrophobic effect on the molecular level: the role of water, enthalpy, and entropy in ligand binding to thermolysinDevelopment and characterization of new peptidomimetic inhibitors of the West Nile virus NS2B-NS3 proteaseMethyl, ethyl, propyl, butyl: futile but not for water, as the correlation of structure and thermodynamic signature shows in a congeneric series of thermolysin inhibitorsThermodynamics of protein-ligand interactions as a reference for computational analysis: how to assess accuracy, reliability and relevance of experimental dataBoosting Affinity by Correct Ligand Preorganization for the S2 Pocket of Thrombin: A Study by Isothermal Titration Calorimetry, Molecular Dynamics, and High-Resolution Crystal Structures2D IR spectroscopy reveals the role of water in the binding of channel-blocking drugs to the influenza M2 channel.Allosteric Inhibition of Factor XIIIa. Non-Saccharide Glycosaminoglycan Mimetics, but Not Glycosaminoglycans, Exhibit Promising Inhibition Profile.Size does matter! Label-free detection of small molecule-protein interaction.Molecular recognition in chemical and biological systems.Bacterial protease uses distinct thermodynamic signatures for substrate recognition.Applications of isothermal titration calorimetry - the research and technical developments from 2011 to 2015.Identification of the first synthetic inhibitors of the type II transmembrane serine protease TMPRSS2 suitable for inhibition of influenza virus activation.Flooding enzymes: quantifying the contributions of interstitial water and cavity shape to ligand binding using extended linear response free energy calculations.Entropic and enthalpic contributions to stereospecific ligand binding from enhanced sampling methods.Replica-Exchange and Standard State Binding Free Energies with Grand Canonical Monte Carlo.Solvent effects on ligand binding to a serine protease.Thrombin-Inhibiting Anticoagulant Liposomes: Development and Characterization.Water-Restructuring Mutations Can Reverse the Thermodynamic Signature of Ligand Binding to Human Carbonic Anhydrase.Biomacromolecular quantitative structure-activity relationship (BioQSAR): a proof-of-concept study on the modeling, prediction and interpretation of protein-protein binding affinity.Changing the selectivity profile - from substrate analog inhibitors of thrombin and factor Xa to potent matriptase inhibitors.
P2860
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P2860
Ligand binding stepwise disrupts water network in thrombin: enthalpic and entropic changes reveal classical hydrophobic effect
description
2012 nî lūn-bûn
@nan
2012 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2012 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
name
Ligand binding stepwise disrup ...... l classical hydrophobic effect
@ast
Ligand binding stepwise disrup ...... l classical hydrophobic effect
@en
Ligand binding stepwise disrup ...... l classical hydrophobic effect
@nl
type
label
Ligand binding stepwise disrup ...... l classical hydrophobic effect
@ast
Ligand binding stepwise disrup ...... l classical hydrophobic effect
@en
Ligand binding stepwise disrup ...... l classical hydrophobic effect
@nl
prefLabel
Ligand binding stepwise disrup ...... l classical hydrophobic effect
@ast
Ligand binding stepwise disrup ...... l classical hydrophobic effect
@en
Ligand binding stepwise disrup ...... l classical hydrophobic effect
@nl
P2093
P3181
P356
P1476
Ligand binding stepwise disrup ...... l classical hydrophobic effect
@en
P2093
Adam Biela
Andreas Heine
Felix Terwesten
Frank Sielaff
Torsten Steinmetzer
P304
P3181
P356
10.1021/JM300337Q
P407
P577
2012-07-12T00:00:00Z