Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition
about
Exploration of the P6/P7 region of the peptide-binding site of the human class II major histocompatability complex protein HLA-DR1The catalytic aspartate is protonated in the Michaelis complex formed between trypsin and an in vitro evolved substrate-like inhibitor: a refined mechanism of serine protease actionBeyond heparinization: design of highly potent thrombin inhibitors suitable for surface couplingStructural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10A network-based multi-target computational estimation scheme for anticoagulant activities of compoundsAn efficient computational method for calculating ligand binding affinitiesAbsolute binding free energy calculations: on the accuracy of computational scoring of protein-ligand interactionsThrombin inhibitors identified by computer-assisted multiparameter design.Evaluation of docking performance in a blinded virtual screening of fragment-like trypsin inhibitors.Strategies for assessing proton linkage to bimolecular interactions by global analysis of isothermal titration calorimetry dataBinding-linked protonation of a DNA minor-groove agentHigh-throughput fragment screening by affinity LC-MS.Weak affinity chromatography for evaluation of stereoisomers in early drug discovery.Peptidomimetic thrombin inhibitors.A comprehensive examination of the contributions to the binding entropy of protein-ligand complexes.Detection and characterization of nonspecific, sparsely populated binding modes in the early stages of complexation.Drug-binding energetics of human α-1-acid glycoprotein assessed by isothermal titration calorimetry and molecular docking simulations.Binding of small-molecule ligands to proteins: "what you see" is not always "what you get".A medicinal chemist's guide to molecular interactionsElectrostatics in proteins and protein-ligand complexes.Conformational variability of benzamidinium-based inhibitorsSolvation and the hidden thermodynamics of a zinc finger probed by nonstandard repair of a protein crevice.Comparative binding energy analysis for binding affinity and target selectivity prediction.The role of Tyr71 in Streptomyces trypsin on the recognition mechanism of structural protein substrates.From activity cliffs to target-specific scoring models and pharmacophore hypotheses.Design of novel and selective inhibitors of urokinase-type plasminogen activator with improved pharmacokinetic properties for use as antimetastatic agents.Prediction of trypsin/molecular fragment binding affinities by free energy decomposition and empirical scores.Connecting Classical QSAR and LERE Analyses Using Modern Molecular Calculations, LERE-QSAR (VI): Hydrolysis of Substituted Hippuric Acid Phenyl Esters by Trypsin.Predicting accurate absolute binding energies in aqueous solution: thermodynamic considerations for electronic structure methodsThermodynamic Profiling of Carbonic Anhydrase Inhibitors
P2860
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P2860
Factorising ligand affinity: a combined thermodynamic and crystallographic study of trypsin and thrombin inhibition
description
2001 nî lūn-bûn
@nan
2001 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2001 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2001年の論文
@ja
2001年論文
@yue
2001年論文
@zh-hant
2001年論文
@zh-hk
2001年論文
@zh-mo
2001年論文
@zh-tw
2001年论文
@wuu
name
Factorising ligand affinity: a ...... rypsin and thrombin inhibition
@ast
Factorising ligand affinity: a ...... rypsin and thrombin inhibition
@en
Factorising ligand affinity: a ...... rypsin and thrombin inhibition
@nl
type
label
Factorising ligand affinity: a ...... rypsin and thrombin inhibition
@ast
Factorising ligand affinity: a ...... rypsin and thrombin inhibition
@en
Factorising ligand affinity: a ...... rypsin and thrombin inhibition
@nl
prefLabel
Factorising ligand affinity: a ...... rypsin and thrombin inhibition
@ast
Factorising ligand affinity: a ...... rypsin and thrombin inhibition
@en
Factorising ligand affinity: a ...... rypsin and thrombin inhibition
@nl
P2093
P356
P1476
Factorising ligand affinity: a ...... rypsin and thrombin inhibition
@en
P2093
Dullweber F
Stürzebecher J
P304
P356
10.1006/JMBI.2001.5062
P407
P577
2001-10-01T00:00:00Z