Compensating enthalpic and entropic changes hinder binding affinity optimization
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Thermodynamic analysis of Jun-Fos coiled coil peptide antagonistsInsights into Protein-Ligand Interactions: Mechanisms, Models, and MethodsGlobal analysis of riboswitches by small-angle X-ray scattering and calorimetryFinding a better path to drug selectivityStructural Characterization of the EphA4-Ephrin-B2 Complex Reveals New Features Enabling Eph-Ephrin Binding PromiscuityThermodynamic optimisation in drug discovery: a case study using carbonic anhydrase inhibitorsRole of Interfacial Water Molecules in Proline-rich Ligand Recognition by the Src Homology 3 Domain of AblHow Much Binding Affinity Can be Gained by Filling a Cavity?A detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinaseProtein–Ligand Interactions: Thermodynamic Effects Associated with Increasing Nonpolar Surface AreaExtreme Entropy–Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 ProteaseProtein–ligand interactions: Probing the energetics of a putative cation–π interactionStructure, Activity, and Inhibition of the Carboxyltransferase -Subunit of Acetyl Coenzyme A Carboxylase (AccD6) from Mycobacterium tuberculosisPrediction of cyclin-dependent kinase 2 inhibitor potency using the fragment molecular orbital methodEffects of Hinge Region Natural Polymorphisms on Human Immunodeficiency Virus-1 Protease Structure, Dynamics and Drug-Pressure EvolutionMotif mediated protein-protein interactions as drug targetsInterfacial water molecules in SH3 interactions: Getting the full picture on polyproline recognition by protein-protein interaction domains.Interfacial water molecules in SH3 interactions: a revised paradigm for polyproline recognition.Effects of organic solvents and substrate binding on trypsin in acetonitrile and hexane media.Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set.A Comprehensive Docking and MM/GBSA Rescoring Study of Ligand Recognition upon Binding Antithrombin.Role of Hsp70 ATPase domain intrinsic dynamics and sequence evolution in enabling its functional interactions with NEFs.Entropy-enthalpy compensation: role and ramifications in biomolecular ligand recognition and design.Novel analogues of the therapeutic complement inhibitor compstatin with significantly improved affinity and potency.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 enzymeThermodynamic Proxies to Compensate for Biases in Drug Discovery Methods.Biophysical limits of protein-ligand binding.Regulation of protein-ligand binding affinity by hydrogen bond pairing.Do enthalpy and entropy distinguish first in class from best in class?Probing the role of parasite-specific, distant structural regions on communication and catalysis in the bifunctional thymidylate synthase-dihydrofolate reductase from Plasmodium falciparumThermodynamics of T-cell receptor-peptide/MHC interactions: progress and opportunitiesDifferences between high- and low-affinity complexes of enzymes and nonenzymes.A thermodynamic approach to the affinity optimization of drug candidates.Natural Products and Their Mimics as Targets of Opportunity for Discovery.A look at ligand binding thermodynamics in drug discovery.Thermodynamics of ligand binding and efficiency.Enthalpy screen of drug candidates.Biophysical characterization of a riboflavin-conjugated dendrimer platform for targeted drug delivery.Altered enthalpy-entropy compensation in picomolar transition state analogues of human purine nucleoside phosphorylaseStructural features of interfacial tyrosine residue in ROBO1 fibronectin domain-antibody complex: Crystallographic, thermodynamic, and molecular dynamic analyses.
P2860
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P2860
Compensating enthalpic and entropic changes hinder binding affinity optimization
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
Compensating enthalpic and entropic changes hinder binding affinity optimization
@ast
Compensating enthalpic and entropic changes hinder binding affinity optimization
@en
Compensating enthalpic and entropic changes hinder binding affinity optimization
@nl
type
label
Compensating enthalpic and entropic changes hinder binding affinity optimization
@ast
Compensating enthalpic and entropic changes hinder binding affinity optimization
@en
Compensating enthalpic and entropic changes hinder binding affinity optimization
@nl
prefLabel
Compensating enthalpic and entropic changes hinder binding affinity optimization
@ast
Compensating enthalpic and entropic changes hinder binding affinity optimization
@en
Compensating enthalpic and entropic changes hinder binding affinity optimization
@nl
P2093
P3181
P1476
Compensating enthalpic and entropic changes hinder binding affinity optimization
@en
P2093
Anthony A Armstrong
Ernesto Freire
Hiroyasu Ohtaka
Virginie Lafont
Yoshiaki Kiso
P304
P3181
P356
10.1111/J.1747-0285.2007.00519.X
P577
2007-06-01T00:00:00Z