ArticleJournal of the American Chemical Society2019
Mechanisms of Nanonewton Mechanostability in a Protein Complex Revealed by Molecular Dynamics Simulations and Single-Molecule Force Spectroscopy.
Article in Journal of the American Chemical Society, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 31 papers.
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Who cites it
31 citing papers in PubMed, 88 citations in OpenAlex.
- Silanes to Silatranes: Robust Functionalization for Single-Molecule Force Spectroscopy.Chembiochem : a European journal of chemical biology · 2026Article
- Computational design of superstable proteins through maximized hydrogen bonding.Nature chemistry · 2026Article
- PySteMoDA: An Open-Source Python Package for the Analysis of Steered Molecular Dynamics Simulations Data.bioRxiv : the preprint server for biology · 2026Article
- Understanding single-molecule reactions using nanopore-based techniques.Nature chemistry · 2025Review
- Multi-state catch bond formed in the Izumo1:Juno complex that initiates human fertilization.Nature communications · 2025Article
- GōMartini 3: From large conformational changes in proteins to environmental bias corrections.Nature communications · 2025Article
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- Use of Steered Molecular Dynamics to Explore the Conformational Changes of SNARE Proteins.Methods in molecular biology (Clifton, N.J.) · 2025Article
- Molecular Mechanism of Interaction between DNA Aptamer and Receptor-Binding Domain of Severe Acute Respiratory Syndrome Coronavirus 2 Variants Revealed by Steered Molecular Dynamics Simulations.Molecules (Basel, Switzerland) · 2024Article
- Single-molecule force stability of the SARS-CoV-2-ACE2 interface in variants-of-concern.Nature nanotechnology · 2024Article
- Fostering discoveries in the era of exascale computing: How the next generation of supercomputers empowers computational and experimental biophysics alike.Biophysical journal · 2023Review
- S373P Mutation Stabilizes the Receptor-Binding Domain of the Spike Protein in Omicron and Promotes Binding.JACS Au · 2023Article
- Interaction of theACS nanoscience Au · 2023Article
- May the force be with you: The role of hyper-mechanostability of the bone sialoprotein binding protein during early stages ofFrontiers in chemistry · 2023Article
- Single-Particle Optical Imaging for Ultrasensitive Bioanalysis.Biosensors · 2022Review
- Implementation of Telescoping Boxes in Adaptive Steered Molecular Dynamics.Journal of chemical theory and computation · 2022Article
- A tethered ligand assay to probe SARS-CoV-2:ACE2 interactions.Proceedings of the National Academy of Sciences of the United States of America · 2022Article
- Understanding the Adhesion Mechanism of Hydroxyapatite-Binding Peptide.Langmuir : the ACS journal of surfaces and colloids · 2022Article
- Protein structure prediction in the era of AI: Challenges and limitations when applying toFrontiers in bioinformatics · 2022Article
- An ester bond underlies the mechanical strength of a pathogen surface protein.Nature communications · 2021Article
Corrections and comments
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Authors and funding
9 authors at 5 institutions in 5 countries.
Funding
Abstract
Can molecular dynamics simulations predict the mechanical behavior of protein complexes? Can simulations decipher the role of protein domains of unknown function in large macromolecular complexes? Here, we employ a wide-sampling computational approach to demonstrate that molecular dynamics simulations, when carefully performed and combined with single-molecule atomic force spectroscopy experiments, can predict and explain the behavior of highly mechanostable protein complexes. As a test case, we studied a previously unreported homologue from
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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.