Labyrinthopeptin A2 disrupts raft domains

Envelope E protein of dengue virus and phospholipid binding to the late endosomal membrane

(2022) José Villalaín   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Viral modulation of lipid rafts and their potential as putative antiviral targets

(2022) Yee Jing Gee et al.   REVIEWS IN MEDICAL VIROLOGY

Labyrinthopeptin A1 inhibits dengue and Zika virus infection by interfering with the viral phospholipid membrane

(2021) Merel Oeyen et al.   VIROLOGY

Location, Orientation and Aggregation of Bardoxolone-ME, CDDO-ME, in a Complex Phospholipid Bilayer Membrane

(2020) Vicente Galiano et al.   JOURNAL OF MEMBRANE BIOLOGY

Labyrinthopeptins as virolytic inhibitors of respiratory syncytial virus cell entry

(2020) Sebastian Blockus et al.   ANTIVIRAL RESEARCH

Scalable molecular dynamics on CPU and GPU architectures with NAMD

(2020) James C. Phillips et al.   JOURNAL OF CHEMICAL PHYSICS

An overview of recent molecular dynamics applications as medicinal chemistry tools for the undruggable site challenge

(2018) Ugo Perricone et al.   MedChemComm

Epigallocatechin-3-gallate Location and Interaction with Late Endosomal and Plasma Membrane Model Membranes by Molecular Dynamics

(2018) José Villalaín   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular Simulations of Mixed Lipid Bilayers with Sphingomyelin, Glycerophospholipids, and Cholesterol

(2017) Indrani Bera et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Broad-spectrum agents for flaviviral infections: dengue, Zika and beyond

(2017) Veaceslav Boldescu et al.   NATURE REVIEWS DRUG DISCOVERY

The Location of the Protonated and Unprotonated Forms of Arbidol in the Membrane: A Molecular Dynamics Study

(2016) Vicente Galiano et al.   JOURNAL OF MEMBRANE BIOLOGY

Oleuropein aglycone in lipid bilayer membranes. A molecular dynamics study

(2015) Vicente Galiano et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Physico-chemical requirements and kinetics of membrane fusion of flavivirus-like particles

(2015) Danillo L. A. Espósito et al.   JOURNAL OF GENERAL VIROLOGY

Capturing Spontaneous Membrane Insertion of the Influenza Virus Hemagglutinin Fusion Peptide

(2015) Javier L. Baylon et al.   JOURNAL OF PHYSICAL CHEMISTRY B

MEMBPLUGIN: studying membrane complexity in VMD

(2014) Ramon Guixà-González et al.   BIOINFORMATICS

CHARMM-GUIMembrane Buildertoward realistic biological membrane simulations

(2014) Emilia L. Wu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Dissecting Reactions of Nonlinear Precursor Peptide Processing of the Class III Lanthipeptide Curvopeptin

(2014) Natalia A. Jungmann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Lipid Organization of the Plasma Membrane

(2014) Helgi I. Ingólfsson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Emerging Viral Diseases: Confronting Threats with New Technologies

(2014) H. D. Marston et al.   Science Translational Medicine

Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD

(2013) Toni Giorgino   COMPUTER PHYSICS COMMUNICATIONS

The Lantibiotic Peptide Labyrinthopeptin A1 Demonstrates Broad Anti-HIV and Anti-HSV Activity with Potential for Microbicidal Applications

(2013) Geoffrey Férir et al.   PLoS One

Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles

(2012) Robert B. Best et al.   Journal of Chemical Theory and Computation

Fast analysis of molecular dynamics trajectories with graphics processing units—Radial distribution function histogramming

(2011) Benjamin G. Levine et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Synthetic studies toward labionin, a new α,α-disubstituted amino acid from type III lantibiotic labyrinthopeptin A2

(2011) Georg M. Sambeth et al.   JOURNAL OF PEPTIDE SCIENCE

Positioning of Antioxidant Quercetin and Its Metabolites in Lipid Bilayer Membranes: Implication for Their Lipid-Peroxidation Inhibition

(2011) Pavlína Košinová et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Labyrinthopeptins: A New Class of Carbacyclic Lantibiotics

(2010) Kathrin Meindl et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

In Vitro Biosynthesis of the Prepeptide of Type-III Lantibiotic Labyrinthopeptin A2 Including Formation of a CC Bond as a Post-Translational Modification

(2010) Wolfgang M. Müller et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types

(2010) Jeffery B. Klauda et al.   JOURNAL OF PHYSICAL CHEMISTRY B

What determines the thickness of a biological membrane

(2009) N. Kucerka et al.   GENERAL PHYSIOLOGY AND BIOPHYSICS

Membrane lipids: where they are and how they behave

(2008) Gerrit van Meer et al.   NATURE REVIEWS MOLECULAR CELL BIOLOGY