Published in Faraday Discuss on January 01, 2010
Polarizable water model for the coarse-grained MARTINI force field. PLoS Comput Biol (2010) 1.76
Accelerating membrane insertion of peripheral proteins with a novel membrane mimetic model. Biophys J (2012) 1.08
Multiscale Modeling of Functionalized Nanocarriers in Targeted Drug Delivery. Curr Nanosci (2011) 1.04
Mechanistic differences in the membrane activity of Bax and Bcl-xL correlate with their opposing roles in apoptosis. Biophys J (2013) 0.99
A lipocentric view of peptide-induced pores. Eur Biophys J (2011) 0.98
A systematically coarse-grained solvent-free model for quantitative phospholipid bilayer simulations. J Phys Chem B (2010) 0.98
Influence of hydrophobic mismatch and amino acid composition on the lateral diffusion of transmembrane peptides. Biophys J (2010) 0.98
Charge distribution and imperfect amphipathicity affect pore formation by antimicrobial peptides. Biochim Biophys Acta (2012) 0.93
The molecular basis for antimicrobial activity of pore-forming cyclic peptides. Biophys J (2011) 0.91
Thermodynamics of antimicrobial lipopeptide binding to membranes: origins of affinity and selectivity. Biophys J (2014) 0.89
Characterization of a potent antimicrobial lipopeptide via coarse-grained molecular dynamics. Biochim Biophys Acta (2011) 0.89
Thermodynamics of Micelle Formation and Membrane Fusion Modulate Antimicrobial Lipopeptide Activity. Biophys J (2015) 0.87
The energetics of transmembrane helix insertion into a lipid bilayer. Biophys J (2010) 0.86
Interaction of melittin peptides with perfluorocarbon nanoemulsion particles. J Phys Chem B (2011) 0.81
Interactions between fengycin and model bilayers quantified by coarse-grained molecular dynamics. Biophys J (2013) 0.81
The effect of membrane curvature on the conformation of antimicrobial peptides: implications for binding and the mechanism of action. Eur Biophys J (2011) 0.80
Combined systems approaches reveal highly plastic responses to antimicrobial peptide challenge in Escherichia coli. PLoS Pathog (2014) 0.79
Computational studies of peptide-induced membrane pore formation. Philos Trans R Soc Lond B Biol Sci (2017) 0.78
Interaction of the antimicrobial peptide polymyxin B1 with both membranes of E. coli: a molecular dynamics study. PLoS Comput Biol (2015) 0.77
Pore Structure and Synergy in Antimicrobial Peptides of the Magainin Family. PLoS Comput Biol (2016) 0.76
Antimicrobial Peptide Potency is Facilitated by Greater Conformational Flexibility when Binding to Gram-negative Bacterial Inner Membranes. Sci Rep (2016) 0.75
The molecular face of lipid rafts in model membranes. Proc Natl Acad Sci U S A (2008) 2.24
Antimicrobial peptides in action. J Am Chem Soc (2006) 2.09
Polarizable water model for the coarse-grained MARTINI force field. PLoS Comput Biol (2010) 1.76
Molecular dynamics simulations of hydrophilic pores in lipid bilayers. Biophys J (2004) 1.65
Lipid packing drives the segregation of transmembrane helices into disordered lipid domains in model membranes. Proc Natl Acad Sci U S A (2011) 1.50
Structure of spheroidal HDL particles revealed by combined atomistic and coarse-grained simulations. Biophys J (2007) 1.45
Phytochemicals perturb membranes and promiscuously alter protein function. ACS Chem Biol (2014) 1.39
Molecular view of cholesterol flip-flop and chemical potential in different membrane environments. J Am Chem Soc (2009) 1.33
3D pressure field in lipid membranes and membrane-protein complexes. Phys Rev Lett (2009) 1.30
Release of content through mechano-sensitive gates in pressurized liposomes. Proc Natl Acad Sci U S A (2010) 1.26
The molecular mechanism of lipid monolayer collapse. Proc Natl Acad Sci U S A (2008) 1.26
Mechanosensitive membrane channels in action. Biophys J (2008) 1.25
Does isoprene protect plant membranes from thermal shock? A molecular dynamics study. Biochim Biophys Acta (2006) 1.21
Lipid organization of the plasma membrane. J Am Chem Soc (2014) 1.20
Structural determinants of the supramolecular organization of G protein-coupled receptors in bilayers. J Am Chem Soc (2012) 1.20
Curvature effects on lipid packing and dynamics in liposomes revealed by coarse grained molecular dynamics simulations. Phys Chem Chem Phys (2009) 1.14
The structural basis for peptide selection by the transport receptor OppA. EMBO J (2009) 1.14
Transmembrane helices can induce domain formation in crowded model membranes. Biochim Biophys Acta (2011) 1.12
Partitioning of lipids at domain boundaries in model membranes. Biophys J (2010) 1.10
Reconstruction of atomistic details from coarse-grained structures. J Comput Chem (2010) 1.10
Molecular mechanism of cyclodextrin mediated cholesterol extraction. PLoS Comput Biol (2011) 1.08
Molecular dynamics simulation of the spontaneous formation of a small DPPC vesicle in water in atomistic detail. J Am Chem Soc (2004) 1.06
Lipid-mediated interactions tune the association of glycophorin A helix and its disruptive mutants in membranes. Phys Chem Chem Phys (2010) 1.05
Computational microscopy of cyclodextrin mediated cholesterol extraction from lipid model membranes. Sci Rep (2013) 1.05
Hybrid simulations: combining atomistic and coarse-grained force fields using virtual sites. Phys Chem Chem Phys (2011) 1.04
Molecular structure of the lecithin ripple phase. Proc Natl Acad Sci U S A (2005) 1.02
Stability of asymmetric lipid bilayers assessed by molecular dynamics simulations. J Am Chem Soc (2009) 1.00
Pressure-area isotherm of a lipid monolayer from molecular dynamics simulations. Langmuir (2007) 1.00
In silico modelling of drug-polymer interactions for pharmaceutical formulations. J R Soc Interface (2010) 0.98
Application of mean field boundary potentials in simulations of lipid vesicles. J Phys Chem B (2008) 0.98
Influence of hydrophobic mismatch and amino acid composition on the lateral diffusion of transmembrane peptides. Biophys J (2010) 0.98
Cholesterol in bilayers with PUFA chains: doping with DMPC or POPC results in sterol reorientation and membrane-domain formation. Biochemistry (2010) 0.98
Molecular modeling of the human serotonin(1A) receptor: role of membrane cholesterol in ligand binding of the receptor. Mol Biosyst (2010) 0.97
Mixing MARTINI: electrostatic coupling in hybrid atomistic-coarse-grained biomolecular simulations. J Phys Chem B (2013) 0.97
A single bicontinuous cubic phase induced by fusion peptides. J Am Chem Soc (2009) 0.96
Molecular view on protein sorting into liquid-ordered membrane domains mediated by gangliosides and lipid anchors. Faraday Discuss (2013) 0.96
Molecular view of the role of fusion peptides in promoting positive membrane curvature. J Am Chem Soc (2012) 0.95
Computationally designed libraries for rapid enzyme stabilization. Protein Eng Des Sel (2014) 0.92
Lipid acrobatics in the membrane fusion arena. Curr Top Membr (2011) 0.92
Structural investigation of MscL gating using experimental data and coarse grained MD simulations. PLoS Comput Biol (2012) 0.91
The molecular basis for antimicrobial activity of pore-forming cyclic peptides. Biophys J (2011) 0.91
Molecular plasticity regulates oligomerization and cytotoxicity of the multipeptide-length amyloid-β peptide pool. J Biol Chem (2012) 0.90
Protein shape change has a major effect on the gating energy of a mechanosensitive channel. Biophys J (2011) 0.89
Gaussian curvature elasticity determined from global shape transformations and local stress distributions: a comparative study using the MARTINI model. Faraday Discuss (2013) 0.89
Comment on "On using a too large integration time step in molecular dynamics simulations of coarse-grained molecular models" by M. Winger, D. Trzesniak, R. Baron and W. F. van Gunsteren, Phys. Chem. Chem. Phys., 2009, 11, 1934. Phys Chem Chem Phys (2010) 0.87
Comparison of thermodynamic properties of coarse-grained and atomic-level simulation models. Chemphyschem (2007) 0.86
Enantioselective enzymes by computational design and in silico screening. Angew Chem Int Ed Engl (2015) 0.86
Structural basis for the enhanced activity of cyclic antimicrobial peptides: the case of BPC194. Biochim Biophys Acta (2011) 0.85
Dual action of BPC194: a membrane active peptide killing bacterial cells. PLoS One (2013) 0.85
Determining equilibrium constants for dimerization reactions from molecular dynamics simulations. J Comput Chem (2011) 0.84
Lateral pressure profiles in lipid monolayers. Faraday Discuss (2010) 0.84
Molecular structure of membrane tethers. Biophys J (2012) 0.82
In silico design of robust bolalipid membranes. Biomacromolecules (2011) 0.81
Coarse-grain modelling of protein-protein interactions. Curr Opin Struct Biol (2013) 0.81
Packing density of the erythropoietin receptor transmembrane domain correlates with amplification of biological responses. Biochemistry (2008) 0.80
Sphere-to-rod transitions of nonionic surfactant micelles in aqueous solution modeled by molecular dynamics simulations. Langmuir (2011) 0.79
Role of lipid-mediated effects in β₂-adrenergic receptor dimerization. Adv Exp Med Biol (2015) 0.78
Amylose folding under the influence of lipids. Carbohydr Res (2012) 0.78
Disaccharides impact the lateral organization of lipid membranes. J Am Chem Soc (2014) 0.78
Computationally efficient and accurate enantioselectivity modeling by clusters of molecular dynamics simulations. J Chem Inf Model (2014) 0.77
Sequence dependent lipid-mediated effects modulate the dimerization of ErbB2 and its associative mutants. Phys Chem Chem Phys (2013) 0.77
Defined lipid analogues induce transient channels to facilitate drug-membrane traversal and circumvent cancer therapy resistance. Sci Rep (2013) 0.77
Computational library design for increasing haloalkane dehalogenase stability. Chembiochem (2014) 0.77
Anomalous viscosity effect in the early stages of the ion-assisted adhesion/fusion event between lipid bilayers: a theoretical and computational study. J Chem Phys (2013) 0.76
Thermodynamic and kinetic characterization of transmembrane helix association. Phys Chem Chem Phys (2014) 0.76
MARTINI coarse-grained model for crystalline cellulose microfibers. J Phys Chem B (2015) 0.76
Bulk Heterojunction Morphologies with Atomistic Resolution from Coarse-Grain Solvent Evaporation Simulations. J Am Chem Soc (2017) 0.75
Disturb or stabilize? A molecular dynamics study of the effects of resorcinolic lipids on phospholipid bilayers. Biophys J (2009) 0.75
Intramolecular photostabilization via triplet-state quenching: design principles to make organic fluorophores "self-healing". Faraday Discuss (2015) 0.75
Advances of unilateral mobile NMR in nondestructive materials testing. Magn Reson Imaging (2005) 0.75
Role of spatial inhomogenity in GPCR dimerisation predicted by receptor association-diffusion models. Phys Biol (2017) 0.75
Correction to "Atomistic and Coarse Grain Topologies for the Cofactors Associated with the PhotoSystem II Core Complex". J Phys Chem B (2015) 0.75
Atomistic and Coarse Grain Topologies for the Cofactors Associated with the Photosystem II Core Complex. J Phys Chem B (2015) 0.75
Ironing out their differences: dissecting the structural determinants of a phenylalanine aminomutase and ammonia lyase. ACS Chem Biol (2015) 0.75
Establishing conditions for simulating hydrophobic solutes in electric fields by molecular dynamics: effects of the long-range van der Waals treatment on the apparent particle mobility. J Mol Model (2014) 0.75