ArticleMethods in molecular biology (Clifton, N.J.)2021
Preparing Membrane Proteins for Simulation Using CHARMM-GUI.
Article in Methods in molecular biology (Clifton, N.J.), 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.
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Who cites it
17 citing papers in PubMed.
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- Retargeting Gram-Positive-Only Adarotene-Derived Antibacterials to Broad-Spectrum Antibiotics.Antibiotics (Basel, Switzerland) · 2025Article
- Orally Bioavailable and Site-Selective Covalent STING Inhibitor Derived from a Macrocyclic Marine Diterpenoid.Journal of medicinal chemistry · 2025Article
- Antibacterial activity of tamoxifen derivatives against methicillin-resistantFrontiers in pharmacology · 2025Article
- Insights into Transient Dimerisation of Carnitine/Acylcarnitine Carrier (SLC25A20) from Sarkosyl/PAGE, Cross-Linking Reagents, and Comparative Modelling Analysis.Biomolecules · 2024Article
- CD151 Maintains Endolysosomal Protein Quality to Inhibit Vascular Inflammation.Circulation research · 2024Article
- Structural characterization and functional insights into the type II secretion system of the poly-extremophile Deinococcus radiodurans.The Journal of biological chemistry · 2024Article
- Tracking conformational transitions of the gonadotropin hormone receptors in a bilayer of (SDPC) poly-unsaturated lipids from all-atom molecular dynamics simulations.PLoS computational biology · 2024Article
- Marine diterpenoid targets STING palmitoylation in mammalian cells.Communications chemistry · 2023Article
- Insights into substrate transport and water permeation in the mycobacterial transporter MmpL3.Biophysical journal · 2023Article
- Towards Molecular Understanding of the Functional Role of UbiJ-UbiKInternational journal of molecular sciences · 2022Article
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3 authors.
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Abstract
Molecular dynamics simulations of membrane proteins have grown dramatically in the last 20 years. Running these simulations first requires embedding the protein's three-dimensional structure in a lipid bilayer of a suitable composition, one that resembles its native environment. This step is far from trivial, especially for modeling heterogeneous mixtures of lipids. CHARMM-GUI, a webserver for simulation system preparation greatly simplifies this step, allowing for the construction of complex heterogeneous and/or asymmetric membranes. Here, we demonstrate how to use CHARMM-GUI to build the membrane for the outer-membrane protein BamA.
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