ArticleBiophysical journal2008
Water-membrane partition thermodynamics of an amphiphilic lipopeptide: an enthalpy-driven hydrophobic effect.
Article in Biophysical journal, 2008. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 22 papers.
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Who cites it
22 citing papers in PubMed, 34 citations in OpenAlex.
- Nodule Cysteine-Rich (NCR) Peptides as Next-Generation Antimicrobials: A Computational Perspective on Structure, Mechanism, and Drug Design.Probiotics and antimicrobial proteins · 2026Review
- GTP-Bound N-Ras Conformational States and Substates Are Modulated by Membrane and Point Mutation.International journal of molecular sciences · 2024Article
- Conformational ensemble-dependent lipid recognition and segregation by prenylated intrinsically disordered regions in small GTPases.Communications biology · 2023Article
- Engineered biomembrane-derived nanoparticles for nanoscale theranostics.Theranostics · 2023Review
- Remodeling of the Plasma Membrane by Surface-Bound Protein Monomers and Oligomers: The Critical Role of Intrinsically Disordered Regions.The Journal of membrane biology · 2022Review
- Phosphatidylserine and Phosphatidylethanolamine Asymmetry Have a Negligible Effect on the Global Structure, Dynamics, and Interactions of the KRAS Lipid Anchor.The journal of physical chemistry. B · 2022Article
- Elucidation of the key role of Pt···Pt interactions in the directional self-assembly of platinum(II) complexes.Proceedings of the National Academy of Sciences of the United States of America · 2022Article
- Interactions between Pea Protein Isolate and Carboxymethylcellulose in Neutral and Acid Aqueous Systems.Foods (Basel, Switzerland) · 2021Article
- Molecular Dynamics Simulation of Lipid-Modified Signaling Proteins.Methods in molecular biology (Clifton, N.J.) · 2021Article
- Programming Cell-Cell Interactions through Non-genetic Membrane Engineering.Cell chemical biology · 2018Review
- Deformation of a Two-domain Lipid Bilayer due to Asymmetric Insertion of Lipid-modified Ras Peptides.Soft matter · 2013Article
- Lessons from computer simulations of Ras proteins in solution and in membrane.Biochimica et biophysica acta · 2013Review
- Aggregation of lipid-anchored full-length H-Ras in lipid bilayers: simulations with the MARTINI force field.PloS one · 2013Article
- Staurosporines disrupt phosphatidylserine trafficking and mislocalize Ras proteins.The Journal of biological chemistry · 2012Article
- Formation and domain partitioning of H-ras peptide nanoclusters: effects of peptide concentration and lipid composition.Journal of the American Chemical Society · 2012Article
- Segregation of negatively charged phospholipids by the polycationic and farnesylated membrane anchor of Kras.Biophysical journal · 2010Article
- An antibody as surrogate receptor reveals determinants of activity of an innate immune peptide antibiotic.The Journal of biological chemistry · 2010Article
- Induced fit, conformational selection and independent dynamic segments: an extended view of binding events.Trends in biochemical sciences · 2010Article
- Absolute Single-Molecule Entropies from Quasi-Harmonic Analysis of Microsecond Molecular Dynamics: Correction Terms and Convergence Properties.Journal of chemical theory and computation · 2009Article
- Similar membrane affinity of mono- and Di-S-acylated ras membrane anchors: a new twist in the role of protein lipidation.Journal of the American Chemical Society · 2008Article
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Authors and funding
3 authors at 1 institution in 1 country.
Funding
Abstract
To shed light on the driving force for the hydrophobic effect that partitions amphiphilic lipoproteins between water and membrane, we carried out an atomically detailed thermodynamic analysis of a triply lipid modified H-ras heptapeptide anchor (ANCH) in water and in a DMPC (1,2-dimyristoyl-sn-glycero-3-phosphocholine) bilayer. Combining molecular mechanical and continuum solvent approaches with an improved technique for solute entropy calculation, we obtained an overall transfer free energy of approximately -13 kcal mol(-1). This value is in qualitative agreement with free energy changes derived from a potential of mean force calculation and indirect experimental observations. Changes in free energies of solvation and ANCH conformational reorganization are unfavorable, whereas ANCH-DMPC interactions-especially van der Waals-favor insertion. These results are consistent with an enthalpy-driven hydrophobic effect, in accord with earlier calorimetric data on the membrane partition of other amphiphiles. Furthermore, structural and entropic analysis of molecular dynamics-generated ensembles suggests that conformational selection may play a hitherto unappreciated role in membrane insertion of lipid-modified peptides and proteins.
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