Role of Charge and Hydrophobicity in Liprotide Formation: A Molecular Dynamics Study with Experimental Constraints

Liprotides assist in folding of outer membrane proteins

(2017) Jannik Nedergaard Pedersen et al.   PROTEIN SCIENCE

Martini straight: Boosting performance using a shorter cutoff and GPUs

(2016) Djurre H. de Jong et al.   COMPUTER PHYSICS COMMUNICATIONS

Using protein-fatty acid complexes to improve vitamin D stability

(2016) Jannik Nedergaard Pedersen et al.   JOURNAL OF DAIRY SCIENCE

Protein-dependent Membrane Interaction of A Partially Disordered Protein Complex with Oleic Acid: Implications for Cancer Lipidomics

(2016) Arunima Chaudhuri et al.   Scientific Reports

The Use of Liprotides To Stabilize and Transport Hydrophobic Molecules

(2015) Jannik N. Pedersen et al.   BIOCHEMISTRY

Computational Lipidomics with insane: A Versatile Tool for Generating Custom Membranes for Molecular Simulations

(2015) Tsjerk A. Wassenaar et al.   Journal of Chemical Theory and Computation

The cytotoxicity of BAMLET complexes is due to oleic acid and independent of the α-lactalbumin component

(2015) Yamixa Delgado et al.   FEBS Open Bio

Generic Structures of Cytotoxic Liprotides: Nano-Sized Complexes with Oleic Acid Cores and Shells of Disordered Proteins

(2014) Jørn D. Kaspersen et al.   CHEMBIOCHEM

Oleic Acid Phase Behavior from Molecular Dynamics Simulations

(2014) J. Joel Janke et al.   LANGMUIR

Small-angle X-ray scattering of BAMLET at pH 12: A complex of α-lactalbumin and oleic acid

(2014) Emma M. Rath et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

The biological activities of protein/oleic acid complexes reside in the fatty acid

(2013) Angelo Fontana et al.   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Perspective on the Martini model

(2013) Siewert J. Marrink et al.   CHEMICAL SOCIETY REVIEWS

Lipids as Tumoricidal Components of Human α-Lactalbumin Made Lethal to Tumor Cells (HAMLET)

(2013) James C. S. Ho et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Toward Optimized Potential Functions for Protein–Protein Interactions in Aqueous Solutions: Osmotic Second Virial Coefficient Calculations Using the MARTINI Coarse-Grained Force Field

(2013) Austin C. Stark et al.   Journal of Chemical Theory and Computation

Going Backward: A Flexible Geometric Approach to Reverse Transformation from Coarse Grained to Atomistic Models

(2013) Tsjerk A. Wassenaar et al.   Journal of Chemical Theory and Computation

The power of coarse graining in biomolecular simulations

(2013) Helgi I. Ingólfsson et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Micellar refolding of coiled-coil honeybee silk proteins

(2013) Andrew A. Walker et al.   Journal of Materials Chemistry B

Molecular Dynamics Simulation of the Unfolding of Individual Bacteriorhodopsin Helices in Sodium Dodecyl Sulfate Micelles

(2012) Venkatramanan Krishnamani et al.   BIOCHEMISTRY

Model Systems of Precursor Cellular Membranes: Long-Chain Alcohols Stabilize Spontaneously Formed Oleic Acid Vesicles

(2012) Adela Rendón et al.   BIOPHYSICAL JOURNAL

Improved Parameters for the Martini Coarse-Grained Protein Force Field

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

Oleic acid is a key cytotoxic component of HAMLET-like complexes

(2011) Sergei E. Permyakov et al.   BIOLOGICAL CHEMISTRY

Label-Free Critical Micelle Concentration Determination of Bacterial Quorum Sensing Molecules

(2011) B.M. Davis et al.   BIOPHYSICAL JOURNAL

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

α-Lactalbumin Forms with Oleic Acid a High Molecular Weight Complex Displaying Cytotoxic Activity

(2010) Barbara Spolaore et al.   BIOCHEMISTRY

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

Structural characterization of the molten globule of α-lactalbumin by solution X-ray scattering

(2010) Mikio Kataoka et al.   PROTEIN SCIENCE

Polarizable Water Model for the Coarse-Grained MARTINI Force Field

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

Combining an Elastic Network With a Coarse-Grained Molecular Force Field: Structure, Dynamics, and Intermolecular Recognition

(2009) Xavier Periole et al.   Journal of Chemical Theory and Computation

α-Lactalbumin is unfolded by all classes of surfactants but by different mechanisms

(2008) Daniel E. Otzen et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE