ReviewACS omega2021
Enthalpy-Entropy Compensation in Biomolecular Recognition: A Computational Perspective.
Review in ACS omega, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 30 papers.
What it found
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
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Who cites it
30 citing papers in PubMed.
- Aqueous OH Kinetics of Aliphatic Carboxylic Acids: New Data and Updated Structure-Activity Relationship.The journal of physical chemistry. A · 2026Article
- Multidrug resistance transporter EmrE is only moderately sensitive to lipid composition.Biophysical journal · 2026Article
- Enthalpy-Entropy Trade-Off Underlies Geometric Isomer Selectivity in Histamine HACS medicinal chemistry letters · 2026Article
- 50 Years of Giese Reaction - a Personal View.Angewandte Chemie (International ed. in English) · 2026Review
- Consequences of Peptide Macrocyclization Revealed by Virus-Inspired β-Hairpin Mimetics.ACS chemical biology · 2026Article
- Machine Learning-Guided Repositioning of a SARS-CoV-2-Targeting Molecular Series as Cruzain Inhibitors.ChemMedChem · 2026Article
- Thermodynamics of Molecular Transport Through a Nanochannel: Evidence of Energy-Entropy Compensation.International journal of molecular sciences · 2025Article
- How allosteric mutations control ligand binding in Lipocalin protein: odorant binding protein as a test case.Cellular and molecular life sciences : CMLS · 2025Article
- Problematic Attributions of Entropic and Hydrophobic Effects in Drug Interactions.ACS bio & med chem Au · 2025Review
- Improved Structure-Based Histidine pJournal of chemical information and modeling · 2025Article
- Combining Fundamental Kinetics and Standard Alkylation Assays to Prioritize Lead-Like KRAS G12C Inhibitors.ACS omega · 2024Article
- Elucidating the Role of Groove Hydration on Stability and Functions of Biased DNA Duplexes in Cell-Like Chemical Environments.Journal of the American Chemical Society · 2024Article
- Dissolution Thermodynamics of the Solubility of Sulfamethazine in (Acetonitrile + 1-Propanol) Mixtures.Pharmaceuticals (Basel, Switzerland) · 2024Article
- Extreme enthalpy‒entropy compensation in the dimerization of small solutes in aqueous solution.European biophysics journal : EBJ · 2024Review
- Synthesis and Thermodynamic Evaluation of Sialyl-Tn MUC1 Glycopeptides Binding to Macrophage Galactose-Type Lectin.Chembiochem : a European journal of chemical biology · 2024Article
- Duplex-forming oligocarbamates with tunable nonbonding sites.Chemical science · 2024Article
- Exploring the Landscape of Aptamers: From Cross-Reactive to Selective to Specific, High-Affinity Receptors for Cocaine.JACS Au · 2024Article
- Unraveling Molecular Recognition of Glycan Ligands by Siglec-9 via NMR Spectroscopy and Molecular Dynamics Modeling.ACS chemical biology · 2024Article
- Isothermal titration calorimetry analysis of the binding between the maltodextrin binding protein malE of Staphylococcus aureus with maltodextrins of various lengths.Biochemical and biophysical research communications · 2024Article
- Article
Corrections and comments
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Authors and funding
2 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
This mini-review provides an overview of the enthalpy-entropy compensation phenomenon in the simulation of biomacromolecular recognition, with particular emphasis on ligand binding. We approach this complex phenomenon from the point of view of practical computational chemistry. Without providing a detailed description of the plethora of existing methodologies already reviewed in depth elsewhere, we present a series of examples to illustrate different approaches to interpret and predict compensation phenomena at an atomistic level, which is far from trivial to predict using canonical, classic textbook assumptions.
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.