ArticleScience advances2023
Physics-based generative model of curvature sensing peptides; distinguishing sensors from binders.
Article in Science advances, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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Who cites it
19 citing papers in PubMed.
- Lipidomic Profile Reconstruction of Therapeutic Membrane Targets Using Physics-Based Optimization with Limited Activity Data.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Screening of amphipathic helices identifies features linked to inner nuclear membrane properties.Nature communications · 2026Article
- The Effect of Aza-Glycine Substitution on the Internalization of Dabcyl-Containing Short Oligoarginine.Biomedicines · 2026Article
- Identification and Characterization of an In Silico Designed Membrane-Active Peptide with Antiviral Properties.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Article
- Exploring and expanding the chemical multiverse of peptides.Chemical science · 2026Review
- Identification of Opportunistic Pathogens on the Skin of Salamanders for Use as Molecular Targets of a De Novo Design of Multitarget Anti-International journal of microbiology · 2026Article
- Painting Peptides With Antimicrobial Potency Through Deep Reinforcement Learning.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2025Article
- Navigating chemical space: multi-level Bayesian optimization with hierarchical coarse-graining.Chemical science · 2025Article
- Exploration and analytical techniques for membrane curvature-sensing proteins in bacteria.Journal of bacteriology · 2025Review
- Toward the Evolutionary Optimisation of Small Molecules Within Coarse-Grained Simulations: Training Molecules to Hide Behind Lipid Head Groups.The journal of physical chemistry. B · 2025Article
- Targeting the Weak Spot: Preferential Disruption of Bacterial Poles by Janus Nanoparticles.Nano letters · 2024Article
- Design of intrinsically disordered protein variants with diverse structural properties.Science advances · 2024Article
- Addressing Heterogeneity in Direct Analysis of Extracellular Vesicles and Their Analogs by Membrane Sensing Peptides as Pan-Vesicular Affinity Probes.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2024Article
- Influence of antimicrobial peptides on the bacterial membrane curvature and vice versa.Trends in microbiology · 2024Article
- SNARE chaperone Sly1 directly mediates close-range vesicle tethering.The Journal of cell biology · 2024Article
- The Evolutionary Origins and Ancestral Features of Septins.bioRxiv : the preprint server for biology · 2024Article
- When Data Are Lacking: Physics-Based Inverse Design of Biopolymers Interacting with Complex, Fluid Phases.Journal of chemical theory and computation · 2024Review
- PMIpred: a physics-informed web server for quantitative protein-membrane interaction prediction.Bioinformatics (Oxford, England) · 2024Article
- The evolutionary origins and ancestral features of septins.Frontiers in cell and developmental biology · 2024Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Proteins can specifically bind to curved membranes through curvature-induced hydrophobic lipid packing defects. The chemical diversity among such curvature "sensors" challenges our understanding of how they differ from general membrane "binders" that bind without curvature selectivity. Here, we combine an evolutionary algorithm with coarse-grained molecular dynamics simulations (Evo-MD) to resolve the peptide sequences that optimally recognize the curvature of lipid membranes. We subsequently demonstrate how a synergy between Evo-MD and a neural network (NN) can enhance the identification and discovery of curvature sensing peptides and proteins. To this aim, we benchmark a physics-trained NN model against experimental data and show that we can correctly identify known sensors and binders. We illustrate that sensing and binding are phenomena that lie on the same thermodynamic continuum, with only subtle but explainable differences in membrane binding free energy, consistent with the serendipitous discovery of sensors.
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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.