ReviewBiophysical journal2015
Molecular Simulations of Gram-Negative Bacterial Membranes: A Vignette of Some Recent Successes.
Review in Biophysical journal, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
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Who cites it
15 citing papers in PubMed.
- Biophysical Modeling of Lipopolysaccharides in Gram-Negative Bacteria: From Atomic to Colloidal Models.International journal of molecular sciences · 2026Review
- Advanced Membrane Simulations in Probiotics and Gut Microbiome Interaction Research: The Current Trends and Insights.Current pharmaceutical design · 2025Review
- Simulating Bacterial Membrane Models at the Atomistic Level: A Force Field Comparison.Journal of chemical theory and computation · 2024Article
- Multifaceted Activity of Fabimycin: Insights from Molecular Dynamics Studies on Bacterial Membrane Models.Journal of chemical information and modeling · 2024Article
- Predicting permeation of compounds across the outer membrane of P. aeruginosa using molecular descriptors.Communications chemistry · 2024Article
- New understanding of multidrug efflux and permeation in antibiotic resistance, persistence, and heteroresistance.Annals of the New York Academy of Sciences · 2023Review
- Model architectures for bacterial membranes.Biophysical reviews · 2022Review
- The diffusible signal factor synthase, RpfF, in Xanthomonas oryzae pv. oryzae is required for the maintenance of membrane integrity and virulence.Molecular plant pathology · 2022Article
- The Whole Is Bigger than the Sum of Its Parts: Drug Transport in the Context of Two Membranes with Active Efflux.Chemical reviews · 2021Article
- Lipopolysaccharide Simulations Are Sensitive to Phosphate Charge and Ion Parameterization.Journal of chemical theory and computation · 2020Article
- Multiscale Methods in Drug Design Bridge Chemical and Biological Complexity in the Search for Cures.Nature reviews. Chemistry · 2018Article
- CHARMM-GUI Martini Maker for modeling and simulation of complex bacterial membranes with lipopolysaccharides.Journal of computational chemistry · 2017Article
- Molecular dynamics simulations of membrane proteins and their interactions: from nanoscale to mesoscale.Current opinion in structural biology · 2016Review
- Role of Electroosmosis in the Permeation of Neutral Molecules: CymA and Cyclodextrin as an Example.Biophysical journal · 2016Article
- Permeability Barrier of Gram-Negative Cell Envelopes and Approaches To Bypass It.ACS infectious diseasesArticle
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
In the following review we use recent examples from the literature to discuss progress in the area of atomistic and coarse-grained molecular dynamics simulations of selected bacterial membranes and proteins, with a particular focus on Gram-negative bacteria. As structural biology continues to provide increasingly high-resolution data on the proteins that reside within these membranes, simulations have an important role to play in linking these data with the dynamical behavior and function of these proteins. In particular, in the last few years there has been significant progress in addressing the issue of biochemical complexity of bacterial membranes such that the heterogeneity of the lipid and protein components of these membranes are now being incorporated into molecular-level models. Thus, in future we can look forward to complementary data from structural biology and molecular simulations combining to provide key details of structure-dynamics-function relationships in bacterial membranes.
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