Constant pH simulations with the coarse-grained MARTINI model — Application to oleic acid aggregates

Molecular Structure of Membrane Tethers

(2012) Svetlana Baoukina et al.   BIOPHYSICAL JOURNAL

Mechanism of Fatty-Acid-Dependent UCP1 Uncoupling in Brown Fat Mitochondria

(2012) Andriy Fedorenko et al.   CELL

Atomistic simulations of pH-dependent self-assembly of micelle and bilayer from fatty acids

(2012) Brian H. Morrow et al.   JOURNAL OF CHEMICAL PHYSICS

Improved Parameters for the Martini Coarse-Grained Protein Force Field

(2012) Djurre H. de Jong et al.   Journal of Chemical Theory and Computation

Rational Design of Interfacial Properties of Ferric (Hydr)oxide Nanoparticles by Adsorption of Fatty Acids from Aqueous Solutions

(2012) Sathish Ponnurangam et al.   LANGMUIR

Antibacterial Activity of Sphingoid Bases and Fatty Acids against Gram-Positive and Gram-Negative Bacteria

(2011) Carol L. Fischer et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Constant pH Molecular Dynamics in Explicit Solvent with λ-Dynamics

(2011) Serena Donnini et al.   Journal of Chemical Theory and Computation

Water Defect and Pore Formation in Atomistic and Coarse-Grained Lipid Membranes: Pushing the Limits of Coarse Graining

(2011) W.F. Drew Bennett et al.   Journal of Chemical Theory and Computation

Atomistic Molecular Dynamics Simulations of the Interactions of Oleic and 2-Hydroxyoleic Acids with Phosphatidylcholine Bilayers

(2011) Javier Cerezo et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Simulating pH Titration of a Single Surfactant in Ionic and Nonionic Surfactant Micelles

(2011) Brian H. Morrow et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Using Molecular Dynamics to Study Liquid Phase Behavior: Simulations of the Ternary Sodium Laurate/Sodium Oleate/Water System

(2011) Dylan T. King et al.   LANGMUIR

Self-Reproduction of Fatty Acid Vesicles: A Combined Experimental and Simulation Study

(2010) Albert J. Markvoort et al.   BIOPHYSICAL JOURNAL

Molecular Dynamics Simulations of Glycocholate−Oleic Acid Mixed Micelle Assembly

(2010) David C. Turner et al.   LANGMUIR

Polarizable Water Model for the Coarse-Grained MARTINI Force Field

(2010) Semen O. Yesylevskyy et al.   PLoS Computational Biology

Penetrating cation/fatty acid anion pair as a mitochondria-targeted protonophore

(2009) F. F. Severin et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Lipids on the move: Simulations of membrane pores, domains, stalks and curves

(2008) Siewert J. Marrink et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Distribution of Amino Acids in a Lipid Bilayer from Computer Simulations

(2008) Justin L. MacCallum et al.   BIOPHYSICAL JOURNAL