ArticleMethods in molecular biology (Clifton, N.J.)2010
Molecular simulations of antimicrobial peptides.
Article in Methods in molecular biology (Clifton, N.J.), 2010. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 9 papers.
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Who cites it
9 citing papers in PubMed.
- Conformation and membrane interaction studies of the potent antimicrobial and anticancer peptide palustrin-Ca.Scientific reports · 2021Article
- Design, Screening, and Testing of Non-Rational Peptide Libraries with Antimicrobial Activity: In Silico and Experimental Approaches.Antibiotics (Basel, Switzerland) · 2020Review
- Binding, folding and insertion of a β-hairpin peptide at a lipid bilayer surface: Influence of electrostatics and lipid tail packing.Biochimica et biophysica acta. Biomembranes · 2018Article
- Article
- A refined model of claudin-15 tight junction paracellular architecture by molecular dynamics simulations.PloS one · 2017Article
- Article
- Antimicrobial peptides and their analogs: searching for new potential therapeutics.Perspectives in medicinal chemistry · 2014Article
- Multiscale models of the antimicrobial peptide protegrin-1 on gram-negative bacteria membranes.International journal of molecular sciences · 2012Review
- Exploring the pharmacological potential of promiscuous host-defense peptides: from natural screenings to biotechnological applications.Frontiers in microbiology · 2011Article
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Authors and funding
2 authors.
Funding
Abstract
Recent advances in molecular dynamics (MD) simulation methods and in available computational resources have allowed for more reliable simulations of biological phenomena. From all-atom MD simulations, we are now able to visualize in detail the interactions between antimicrobial peptides (AMPs) and a variety of membrane mimics. This helps us to understand the molecular mechanisms of antimicrobial activity and toxicity. This chapter describes how to set up and conduct molecular dynamics simulations of AMPs and membrane mimics. Details are given for the construction of systems of interest for studying AMPs, which can include simulations of peptides in water, micelles, or lipid bilayers. Explanations of the parameters needed for running a simulation are provided as well.
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Registered trials
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