about
Water in cavity-ligand recognition.Thermodynamics and solvent linkage of macromolecule-ligand interactionsRapid Macrocycle Threading by a Fluorescent Dye-Polymer Conjugate in Water with Nanomolar Affinity.How to replace the residual solvation shell of polar active site residues to achieve nanomolar inhibition of tRNA-guanine transglycosylaseFragment-based lead discovery: screening and optimizing fragments for thermolysin inhibitionMechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydrase3'-axial CH2 OH substitution on glucopyranose does not increase glycogen phosphorylase inhibitory potency. QM/MM-PBSA calculations suggest whyWater makes the difference: rearrangement of water solvation layer triggers non-additivity of functional group contributions in protein-ligand bindingFrom lin-benzoguanines to lin-benzohypoxanthines as ligands for Zymomonas mobilis tRNA-guanine transglycosylase: replacement of protein-ligand hydrogen bonding by importing water clustersDissecting the hydrophobic effect on the molecular level: the role of water, enthalpy, and entropy in ligand binding to thermolysinProtein–ligand interactions: Probing the energetics of a putative cation–π interactionThe differences in binding 12-carbon aliphatic ligands by bovine β-lactoglobulin isoform A and B studied by isothermal titration calorimetry and X-ray crystallographyThe binding of benzoarylsulfonamide ligands to human carbonic anhydrase is insensitive to formal fluorination of the ligandMethyl, ethyl, propyl, butyl: futile but not for water, as the correlation of structure and thermodynamic signature shows in a congeneric series of thermolysin inhibitorsStructural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10Ligand binding to protein-binding pockets with wet and dry regionsWater-membrane partition thermodynamics of an amphiphilic lipopeptide: an enthalpy-driven hydrophobic effect.Prediction of the water content in protein binding sitesAspects of Weak Interactions between Folate and Glycine Betaine.A surprising role for conformational entropy in protein function.Long-timescale molecular-dynamics simulations of the major urinary protein provide atomistic interpretations of the unusual thermodynamics of ligand binding.Hydrophobic interactions and clustering in a porous capsule: option to remove hydrophobic materials from water.A displaced-solvent functional analysis of model hydrophobic enclosures.From linking of metal-oxide building blocks in a dynamic library to giant clusters with unique properties and towards adaptive chemistry.The role of conformational entropy in molecular recognition by calmodulin.Perspectives on NMR in drug discovery: a technique comes of ageRational Design of Benzylidenehydrazinyl-Substituted Thiazole Derivatives as Potent Inhibitors of Human Dihydroorotate Dehydrogenase with in Vivo Anti-arthritic Activity.A medicinal chemist's guide to molecular interactionsIon mobility spectrometry-mass spectrometry (IMS-MS) of small molecules: separating and assigning structures to ions.Molecular recognition in chemical and biological systems.The impact of binding thermodynamics on medicinal chemistry optimizations.Natural Products and Their Mimics as Targets of Opportunity for Discovery.Innovative computer-aided methods for the discovery of new kinase ligands.Cell membranes… and how long drugs may exert beneficial pharmacological activity in vivoDewetting transitions in protein cavities.Combining docking-based comparative intermolecular contacts analysis and k-nearest neighbor correlation for the discovery of new check point kinase 1 inhibitors.THz absorption spectroscopy of solvated β-lactoglobulin.PHOENIX: a scoring function for affinity prediction derived using high-resolution crystal structures and calorimetry measurementsStepwise-resolved thermodynamics of hydrophobic self-assembly.Intrinsic Thermodynamics and Structures of 2,4- and 3,4-Substituted Fluorinated Benzenesulfonamides Binding to Carbonic Anhydrases.
P2860
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P2860
description
2007 nî lūn-bûn
@nan
2007 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
2007 թվականի հունիսին հրատարակված գիտական հոդված
@hy
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
name
Water, water everywhere--except where it matters?
@ast
Water, water everywhere--except where it matters?
@en
Water, water everywhere--except where it matters?
@nl
type
label
Water, water everywhere--except where it matters?
@ast
Water, water everywhere--except where it matters?
@en
Water, water everywhere--except where it matters?
@nl
prefLabel
Water, water everywhere--except where it matters?
@ast
Water, water everywhere--except where it matters?
@en
Water, water everywhere--except where it matters?
@nl
P1433
P1476
Water, water everywhere--except where it matters?
@en
P2093
Steve W Homans
P304
P356
10.1016/J.DRUDIS.2007.05.004
P577
2007-06-26T00:00:00Z