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Enthalpy-entropy compensation in drug-receptor binding

https://doi.org/10.1021/j100056a024
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Steroids in Molecular Recognition
inferred← citeshttps://doi.org/10.1021/cr990416zopenalex-snapshot
Isokinetic Relationship, Isoequilibrium Relationship, and Enthalpy−Entropy Compensation
inferred← citeshttps://doi.org/10.1021/cs300538zopenalex-snapshot
Relative Enzymatic Activity Levels from In Silico Mutagenesis.
inferred← citeshttps://doi.org/10.1021/ie402900nopenalex-snapshot
Adsorption of the Prototype Anionic Anthraquinone, Acid Blue 25, on a Modified Banana Peel: Comparison with Equilibrium and Kinetic Ligand–Receptor Biochemical Data
inferred← citeshttps://doi.org/10.1021/ja000464xopenalex-snapshot
DNA Binding Thermodynamics and Sequence Specificity of Chiral Piperazinecarbonyloxyalkyl Derivatives of Anthracene and Pyrene
inferred← citeshttps://doi.org/10.1021/ja020612eopenalex-snapshot
Ion-Pairing Molecular Recognition in Water: Aggregation at Low Concentrations That Is Entropy-Driven
inferred← citeshttps://doi.org/10.1021/ja060070ropenalex-snapshot
The Paradoxical Thermodynamic Basis for the Interaction of Ethylene Glycol, Glycine, and Sarcosine Chains with Bovine Carbonic Anhydrase II: An Unexpected Manifestation of Enthalpy/Entropy Compensation
inferred← citeshttps://doi.org/10.1021/ja075975zopenalex-snapshot
Enthalpy−Entropy Compensation Reveals Solvent Reorganization as a Driving Force for Supramolecular Encapsulation in Water
inferred← citeshttps://doi.org/10.1021/ja904698qopenalex-snapshot
Thermodynamic and Structural Effects of Conformational Constraints in Protein−Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization
inferred← citeshttps://doi.org/10.1021/ja910535jopenalex-snapshot
Constraining Binding Hot Spots: NMR and Molecular Dynamics Simulations Provide a Structural Explanation for Enthalpy−Entropy Compensation in SH2−Ligand Binding
inferred← citeshttps://doi.org/10.1021/jm0305669openalex-snapshot
Dopamine D4Ligands and Models of Receptor Activation: 2-(4-Pyridin-2-ylpiperazin-1-ylmethyl)-1H-benzimidazole and Related Heteroarylmethylarylpiperazines Exhibit a Substituent Effect Responsible for Additional Efficacy Tuning
inferred← citeshttps://doi.org/10.1021/jm040842zopenalex-snapshot
Binding Thermodynamics as a Tool To Investigate the Mechanisms of Drug−Receptor Interactions: Thermodynamics of Cytoplasmic Steroid/Nuclear Receptors in Comparison with Membrane Receptors
inferred← citeshttps://doi.org/10.1021/jm800498eopenalex-snapshot
Beyond Picomolar Affinities: Quantitative Aspects of Noncovalent and Covalent Binding of Drugs to Proteins
inferred← citeshttps://doi.org/10.1021/jm9001499openalex-snapshot
3,5-Diphenylpent-2-enoic Acids as Allosteric Activators of the Protein Kinase PDK1: Structure−Activity Relationships and Thermodynamic Characterization of Binding as Paradigms for PIF-Binding Pocket-Targeting Compounds†PDB code of 2Z with PDK1: 3HRF.
inferred← citeshttps://doi.org/10.1021/jm9902180openalex-snapshot
Structural Specificity of Chloroquine−Hematin Binding Related to Inhibition of Hematin Polymerization and Parasite Growth
inferred← citeshttps://doi.org/10.1021/jp027627jopenalex-snapshot
Staging Is More Important than Perturbation Method for Computation of Enthalpy and Entropy Changes in Complex Systems
inferred← citeshttps://doi.org/10.1021/jp1105696openalex-snapshot
Entropy−Enthalpy Compensation in Chemical Reactions and Adsorption: An Exactly Solvable Model
inferred← citeshttps://doi.org/10.1021/jp210265dopenalex-snapshot
Probing the Effect of Conformational Constraint on Phosphorylated Ligand Binding to an SH2 Domain Using Polarizable Force Field Simulations
inferred← citeshttps://doi.org/10.1021/jp411314wopenalex-snapshot
Enthalpy–Entropy Compensation Effect in Hydrogen Storage Materials: Striking Example of Alkali Silanides MSiH 3 (M = K, Rb, Cs)
inferred← citeshttps://doi.org/10.1021/jp501547ropenalex-snapshot
Detailed Scrutiny of the Anion Receptor Pocket in Subdomain IIA of Serum Proteins toward Individual Response to Specific Ligands: HSA-Pocket Resembles Flexible Biological Slide-Wrench Unlike BSA
inferred← citeshttps://doi.org/10.1021/jp510796fopenalex-snapshot
Solvent-Dependent Enthalpic versus Entropic Anion Binding by Biaryl Substituted Quinoline Based Anion Receptors
inferred← citeshttps://doi.org/10.1021/jp806859wopenalex-snapshot
Self-Assembly by Mutual Association: Basic Thermodynamic Properties
inferred← citeshttps://doi.org/10.1021/jp9712213openalex-snapshot
Orientational Disorder and Entropy of Water in Protein Cavities
inferred← citeshttps://doi.org/10.1021/jp980191gopenalex-snapshot
Charge Transport through Osmium-Containing Redox Polymers in Nitrophenyl-Based Solvents: Effect of Solvent Size
inferred← citeshttps://doi.org/10.1023/a:1008708418253openalex-snapshot
Generating consistent sets of thermodynamic and structural data for analysis of protein-ligand interactions
inferred← citeshttps://doi.org/10.1023/a:1011163527770openalex-snapshot
Thermodynamic aspects of hydrophobicity and biological QSAR
inferred← citeshttps://doi.org/10.1023/a:1011936300845openalex-snapshot
The How and Why of Protein-carbohydrate Interaction: A Primer to the Theoretical Concept and a Guide to Application in Drug Design
inferred← citeshttps://doi.org/10.1023/a:1016203424278openalex-snapshot
Interaction Between Bile Salts and β-Adrenoceptor Antagonists
inferred← citeshttps://doi.org/10.1023/a:1016231019793openalex-snapshot
Reversible Adsorption of Soluble Hexameric Insulin onto the Surface of Insulin Crystals Cocrystallized with Protamine: An Electrostatic Interaction
inferred← citeshttps://doi.org/10.1023/a:1018987816891openalex-snapshot
Thermodynamic In Vitro Studies as a Method to Investigate the Pharmacodynamic Behavior of Adenosine A1 Receptor Ligands
inferred← citeshttps://doi.org/10.1023/a:1027299602978openalex-snapshot
Receptor-based prediction of binding affinities
inferred← citeshttps://doi.org/10.1038/s41467-023-43596-2openalex-snapshot
Unexpected dynamics in femtomolar complexes of binding proteins with peptides
inferred← citeshttps://doi.org/10.1038/sj.bjp.0701378openalex-snapshot
Characterization of A2A adenosine receptors in human lymphocyte membranes by [3H]‐SCH 58261 binding
inferred← citeshttps://doi.org/10.1038/sj.bjp.0701758openalex-snapshot
[3H]‐SCH 58261 labelling of functional A2A adenosine receptors in human neutrophil membranes
inferred← citeshttps://doi.org/10.1038/sj.bjp.0702226openalex-snapshot
Nociceptin receptor binding in mouse forebrain membranes: thermodynamic characteristics and structure activity relationships
inferred← citeshttps://doi.org/10.1038/sj.bjp.0703045openalex-snapshot
A2A adenosine receptors in human peripheral blood cells
inferred← citeshttps://doi.org/10.1038/sj.bjp.0704352openalex-snapshot
Pharmacological and biochemical characterization of adenosine receptors in the human malignant melanoma A375 cell line
inferred← citeshttps://doi.org/10.1039/9781849735377-00023openalex-snapshot
Thermodynamics of Ligand Binding
inferred← citeshttps://doi.org/10.1039/b109553fopenalex-snapshot
Binding of dipeptides and tripeptides containing lysine or arginine by p-sulfonatocalixarenes in water: NMR and microcalorimetric studiesElectronic supplementary information (ESI) available: chemical shifts experienced by different protons of KK, RR, KKK or RRR in the presence of increasing…
inferred← citeshttps://doi.org/10.1039/b201428aopenalex-snapshot
Changes in motion vs. bonding in positively vs. negatively cooperative interactions
inferred← citeshttps://doi.org/10.1039/c2sm25160dopenalex-snapshot
The fundamental role of flexibility on the strength of molecular binding
inferred← citeshttps://doi.org/10.1039/c3dt50998bopenalex-snapshot
Thermodynamics of complexation reactions of borate and phenylboronate with diol, triol and tetritol
inferred← citeshttps://doi.org/10.1039/c3md00038aopenalex-snapshot
A quantum chemical view of enthalpy–entropy compensation
inferred← citeshttps://doi.org/10.1039/c7sm01220aopenalex-snapshot
Molecular rigidity and enthalpy–entropy compensation in DNA melting
inferred← citeshttps://doi.org/10.1039/d4fd00141aopenalex-snapshot
Spiers Memorial Lecture: Quantum chemistry, classical heuristics, and quantum advantage
inferred← citeshttps://doi.org/10.1042/bj20051501openalex-snapshot
Temperature-dependences of the kinetics of reactions of papain and actinidin with a series of reactivity probes differing in key molecular recognition features
inferred← citeshttps://doi.org/10.1063/1.1644094openalex-snapshot
Case study of enthalpy–entropy noncompensation
inferred← citeshttps://doi.org/10.1063/1.3681256openalex-snapshot
Lattice cluster theory of associating polymers. II. Enthalpy and entropy of self-assembly and Flory-Huggins interaction parameter χ for solutions of telechelic molecules
inferred← citeshttps://doi.org/10.1063/1.4871685openalex-snapshot
Investigations of α-helix↔β-sheet transition pathways in a miniprotein using the finite-temperature string method
inferred← citeshttps://doi.org/10.1063/1.5040105openalex-snapshot
Lattice theory of competitive binding: Influence of van der Waals interactions on molecular binding and adsorption to a solid substrate from binary liquid mixtures
inferred← citeshttps://doi.org/10.1074/jbc.m110.122804openalex-snapshot
Experimental Validation of the Predicted Binding Site of Escherichia coli K1 Outer Membrane Protein A to Human Brain Microvascular Endothelial Cells
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