The Thermodynamics of Protein–Ligand Interaction and Solvation: Insights for Ligand Design
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Protein Flexibility and Conformational Entropy in Ligand Design Targeting the Carbohydrate Recognition Domain of Galectin-3NMR Structures of Apo L. casei Dihydrofolate Reductase and Its Complexes with Trimethoprim and NADPH: Contributions to Positive Cooperative Binding from Ligand-Induced Refolding, Conformational Changes, and Interligand Hydrophobic InteractionsProtein–Ligand Interactions: Thermodynamic Effects Associated with Increasing Nonpolar Surface AreaMechanism of the hydrophobic effect in the biomolecular recognition of arylsulfonamides by carbonic anhydraseBinding thermodynamics of a glutamate transporter homologMalachite Green Mediates Homodimerization of Antibody VL Domains to Form a Fluorescent Ternary Complex with Singular Symmetric InterfacesSingle amino acid exchange in bacteriophage HK620 tailspike protein results in thousand-fold increase of its oligosaccharide affinityFirst structural evidence of sequestration of mRNA cap structures by type 1 ribosome inactivating protein from Momordica balsaminaProtein–ligand interactions: Probing the energetics of a putative cation–π interactionThermodynamic and structural analysis of HIV protease resistance to darunavir - analysis of heavily mutated patient-derived HIV-1 proteasesThermodynamics of protein-ligand interactions as a reference for computational analysis: how to assess accuracy, reliability and relevance of experimental dataAuto-FACE: an NMR based binding site mapping program for fast chemical exchange protein-ligand systemsWhat can we learn from the evolution of protein-ligand interactions to aid the design of new therapeutics?Probing the interaction of a therapeutic flavonoid, pinostrobin with human serum albumin: multiple spectroscopic and molecular modeling investigationsIntrinsic Thermodynamics and Structure Correlation of Benzenesulfonamides with a Pyrimidine Moiety Binding to Carbonic Anhydrases I, II, VII, XII, and XIIICharacterization of Promiscuous Binding of Phosphor Ligands to Breast-Cancer-Gene 1 (BRCA1) C-Terminal (BRCT): Molecular Dynamics, Free Energy, Entropy and Inhibitor DesignIsoform-specific inhibition of cyclophilinsThe use of thermodynamic and kinetic data in drug discovery: decisive insight or increasing the puzzlement?Molecular determinants of juvenile hormone action as revealed by 3D QSAR analysis in Drosophila.Titration calorimetry standards and the precision of isothermal titration calorimetry dataBinding affinity prediction with property-encoded shape distribution signaturesTargeting Peroxisome Proliferator-Activated Receptors Using Thiazolidinediones: Strategy for Design of Novel Antidiabetic DrugsBinding of inositol 1,4,5-trisphosphate (IP3) and adenophostin A to the N-terminal region of the IP3 receptor: thermodynamic analysis using fluorescence polarization with a novel IP3 receptor ligand.Higher throughput calorimetry: opportunities, approaches and challenges.Computational design of a CNT carrier for a high affinity bispecific anti-HER2 antibody based on trastuzumab and pertuzumab Fabs.Effects of Water Placement on Predictions of Binding Affinities for p38α MAP Kinase Inhibitors.Protein-Templated Fragment Ligations-From Molecular Recognition to Drug Discovery.Thermodynamics of binding of structurally similar ligands to histone deacetylase 8 sheds light on challenges in the rational design of potent and isozyme-selective inhibitors of the enzymeHADDOCK(2P2I): a biophysical model for predicting the binding affinity of protein-protein interaction inhibitors.Multipose binding in molecular docking.Statistical mechanics and molecular dynamics in evaluating thermodynamic properties of biomolecular recognition.Binding efficiency of protein-protein complexes.T cell receptor "inside-out" pathway via signaling module SKAP1-RapL regulates T cell motility and interactions in lymph nodesA thermodynamic approach to the affinity optimization of drug candidates.Protein-Ligand Interactions: Thermodynamic Effects Associated with Increasing the Length of an Alkyl Chain.A medicinal chemist's guide to molecular interactionsThe GRID/CPCA approach in drug discovery.Application of isothermal titration calorimetry as a tool to study natural product interactions.Isothermal titration calorimetry of ion-coupled membrane transporters.The impact of binding thermodynamics on medicinal chemistry optimizations.
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The Thermodynamics of Protein–Ligand Interaction and Solvation: Insights for Ligand Design
description
article
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im Dezember 2008 veröffentlichter wissenschaftlicher Artikel
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wetenschappelijk artikel
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наукова стаття, опублікована в грудні 2008
@uk
ലേഖനം
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name
The Thermodynamics of Protein– ...... on: Insights for Ligand Design
@en
The Thermodynamics of Protein– ...... on: Insights for Ligand Design
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type
label
The Thermodynamics of Protein– ...... on: Insights for Ligand Design
@en
The Thermodynamics of Protein– ...... on: Insights for Ligand Design
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prefLabel
The Thermodynamics of Protein– ...... on: Insights for Ligand Design
@en
The Thermodynamics of Protein– ...... on: Insights for Ligand Design
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P50
P1476
The thermodynamics of protein- ...... on: insights for ligand design
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P2093
William R Pitt
P304
P356
10.1016/J.JMB.2008.09.073
P407
P577
2008-10-09T00:00:00Z