Published in J Am Chem Soc on June 09, 2010
Revitalizing membrane rafts: new tools and insights. Nat Rev Mol Cell Biol (2010) 5.03
Quantitative analysis of the lipidomes of the influenza virus envelope and MDCK cell apical membrane. J Cell Biol (2012) 1.44
Reduced lateral mobility of lipids and proteins in crowded membranes. PLoS Comput Biol (2013) 1.17
Specificity of intramembrane protein-lipid interactions. Cold Spring Harb Perspect Biol (2011) 1.12
Aggregation of model membrane proteins, modulated by hydrophobic mismatch, membrane curvature, and protein class. Biophys J (2011) 1.06
Role of lipids in spheroidal high density lipoproteins. PLoS Comput Biol (2010) 1.04
Metabolomics and systems pharmacology: why and how to model the human metabolic network for drug discovery. Drug Discov Today (2013) 1.03
Molecular driving forces defining lipid positions around aquaporin-0. Proc Natl Acad Sci U S A (2012) 0.99
A critical survey of methods to detect plasma membrane rafts. Philos Trans R Soc Lond B Biol Sci (2012) 0.99
Lateral sorting in model membranes by cholesterol-mediated hydrophobic matching. Proc Natl Acad Sci U S A (2011) 0.98
Lipid simulations: a perspective on lipids in action. Cold Spring Harb Perspect Biol (2011) 0.89
Local Lipid Reorganization by a Transmembrane Protein Domain. J Phys Chem Lett (2012) 0.87
Membrane orientation and lateral diffusion of BODIPY-cholesterol as a function of probe structure. Biophys J (2013) 0.86
Molecular dynamics simulations of the bacterial UraA H+-uracil symporter in lipid bilayers reveal a closed state and a selective interaction with cardiolipin. PLoS Comput Biol (2015) 0.86
GPI-anchored proteins do not reside in ordered domains in the live cell plasma membrane. Nat Commun (2015) 0.85
Force transduction and lipid binding in MscL: a continuum-molecular approach. PLoS One (2014) 0.84
Three-dimensional stress field around a membrane protein: atomistic and coarse-grained simulation analysis of gramicidin A. Biophys J (2013) 0.82
Formation of raft-like assemblies within clusters of influenza hemagglutinin observed by MD simulations. PLoS Comput Biol (2013) 0.81
Methodologies for the analysis of instantaneous lipid diffusion in MD simulations of large membrane systems. Faraday Discuss (2014) 0.80
The free energy landscape of dimerization of a membrane protein, NanC. PLoS Comput Biol (2014) 0.79
Membrane omega-3 fatty acids modulate the oligomerisation kinetics of adenosine A2A and dopamine D2 receptors. Sci Rep (2016) 0.79
Dynamics of lipids, cholesterol, and transmembrane α-helices from microsecond molecular dynamics simulations. J Phys Chem B (2014) 0.78
Dynamics of Crowded Vesicles: Local and Global Responses to Membrane Composition. PLoS One (2016) 0.76
Characterization of 3D Voronoi tessellation nearest neighbor lipid shells provides atomistic lipid disruption profile of protein containing lipid membranes. Biophys Chem (2015) 0.76
Impact of Lipid Composition and Receptor Conformation on the Spatio-temporal Organization of μ-Opioid Receptors in a Multi-component Plasma Membrane Model. PLoS Comput Biol (2016) 0.75
Chemical biology approaches to membrane homeostasis and function. Chimia (Aarau) (2011) 0.75
There Is No Simple Model of the Plasma Membrane Organization. Front Cell Dev Biol (2016) 0.75
Atomistic Monte Carlo simulation of lipid membranes. Int J Mol Sci (2014) 0.75
Molecular basis for the dissociation dynamics of protein A-immunoglobulin G1 complex. PLoS One (2013) 0.75
Localization and Ordering of Lipids Around Aquaporin-0: Protein and Lipid Mobility Effects. Front Physiol (2017) 0.75
Diffusion as a probe of peptide-induced membrane domain formation. Biochemistry (2011) 0.75
Supported lipid bilayer platforms to probe cell mechanobiology. Biochim Biophys Acta (2017) 0.75
The Integrin Receptor in Biologically Relevant Bilayers: Insights from Molecular Dynamics Simulations. J Membr Biol (2016) 0.75
GROMACS: fast, flexible, and free. J Comput Chem (2005) 27.22
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit. Bioinformatics (2013) 11.01
Prediction of membrane-protein topology from first principles. Proc Natl Acad Sci U S A (2008) 2.55
Molecular dynamics simulations of phospholipid bilayers with cholesterol. Biophys J (2003) 2.38
Simulations of the role of water in the protein-folding mechanism. Proc Natl Acad Sci U S A (2004) 1.95
Association of lipidome remodeling in the adipocyte membrane with acquired obesity in humans. PLoS Biol (2011) 1.89
Lessons of slicing membranes: interplay of packing, free area, and lateral diffusion in phospholipid/cholesterol bilayers. Biophys J (2004) 1.77
An emerging consensus on voltage-dependent gating from computational modeling and molecular dynamics simulations. J Gen Physiol (2012) 1.72
Improved model quality assessment using ProQ2. BMC Bioinformatics (2012) 1.70
BODIPY-cholesterol: a new tool to visualize sterol trafficking in living cells and organisms. Traffic (2008) 1.67
The hydrophobic effect and its role in cold denaturation. Cryobiology (2009) 1.64
Computer simulation study of fullerene translocation through lipid membranes. Nat Nanotechnol (2008) 1.58
Using multiple templates to improve quality of homology models in automated homology modeling. Protein Sci (2008) 1.56
Ordering effects of cholesterol and its analogues. Biochim Biophys Acta (2008) 1.56
Molecular dynamics simulation of a palmitoyl-oleoyl phosphatidylserine bilayer with Na+ counterions and NaCl. Biophys J (2004) 1.55
Structural basis for alcohol modulation of a pentameric ligand-gated ion channel. Proc Natl Acad Sci U S A (2011) 1.52
Conformational changes and slow dynamics through microsecond polarized atomistic molecular simulation of an integral Kv1.2 ion channel. PLoS Comput Biol (2009) 1.51
Tracking a complete voltage-sensor cycle with metal-ion bridges. Proc Natl Acad Sci U S A (2012) 1.46
Structure of spheroidal HDL particles revealed by combined atomistic and coarse-grained simulations. Biophys J (2007) 1.45
PDB_Hydro: incorporating dipolar solvents with variable density in the Poisson-Boltzmann treatment of macromolecule electrostatics. Nucleic Acids Res (2006) 1.45
Pore formation coupled to ion transport through lipid membranes as induced by transmembrane ionic charge imbalance: atomistic molecular dynamics study. J Am Chem Soc (2005) 1.44
Microsecond simulations indicate that ethanol binds between subunits and could stabilize an open-state model of a glycine receptor. Biophys J (2011) 1.42
Molecular recognition of a single sphingolipid species by a protein's transmembrane domain. Nature (2012) 1.42
Atomic-resolution simulations predict a transition state for vesicle fusion defined by contact of a few lipid tails. PLoS Comput Biol (2010) 1.42
Cholesterol modulates glycolipid conformation and receptor activity. Nat Chem Biol (2011) 1.41
Structure and dynamics of sphingomyelin bilayer: insight gained through systematic comparison to phosphatidylcholine. Biophys J (2004) 1.40
Molecular lipidomics of exosomes released by PC-3 prostate cancer cells. Biochim Biophys Acta (2013) 1.35
Effect of lipid peroxidation on the properties of lipid bilayers: a molecular dynamics study. Biophys J (2007) 1.35
Under the influence of alcohol: the effect of ethanol and methanol on lipid bilayers. Biophys J (2005) 1.32
3D pressure field in lipid membranes and membrane-protein complexes. Phys Rev Lett (2009) 1.30
Crystal structure of Na+, K(+)-ATPase in the Na(+)-bound state. Science (2013) 1.28
Membrane protein simulations with a united-atom lipid and all-atom protein model: lipid-protein interactions, side chain transfer free energies and model proteins. J Phys Condens Matter (2006) 1.28
Assessing the nature of lipid raft membranes. PLoS Comput Biol (2007) 1.26
The molecular mechanism of lipid monolayer collapse. Proc Natl Acad Sci U S A (2008) 1.26
Amino-acid solvation structure in transmembrane helices from molecular dynamics simulations. Biophys J (2006) 1.24
Significance of sterol structural specificity. Desmosterol cannot replace cholesterol in lipid rafts. J Biol Chem (2005) 1.24
Speeding up parallel GROMACS on high-latency networks. J Comput Chem (2007) 1.23
Selective ligand-induced stabilization of active and desensitized parathyroid hormone type 1 receptor conformations. J Biol Chem (2002) 1.21
Influence of chain length and unsaturation on sphingomyelin bilayers. Biophys J (2005) 1.21
Protein contents in biological membranes can explain abnormal solvation of charged and polar residues. Proc Natl Acad Sci U S A (2009) 1.18
Cationic DMPC/DMTAP lipid bilayers: molecular dynamics study. Biophys J (2004) 1.17
Coarse-grained model for phospholipid/cholesterol bilayer. J Chem Phys (2004) 1.17
Atomic-scale structure and electrostatics of anionic palmitoyloleoylphosphatidylglycerol lipid bilayers with Na+ counterions. Biophys J (2006) 1.17
The role of lipid composition for insertion and stabilization of amino acids in membranes. J Chem Phys (2009) 1.15
Effect of NaCl and KCl on phosphatidylcholine and phosphatidylethanolamine lipid membranes: insight from atomic-scale simulations for understanding salt-induced effects in the plasma membrane. J Phys Chem B (2008) 1.13
Polyunsaturation in lipid membranes: dynamic properties and lateral pressure profiles. J Phys Chem B (2007) 1.12
3₁₀-helix conformation facilitates the transition of a voltage sensor S4 segment toward the down state. Biophys J (2011) 1.11
Insight into the putative specific interactions between cholesterol, sphingomyelin, and palmitoyl-oleoyl phosphatidylcholine. Biophys J (2006) 1.11
A high-performance parallel-generalized Born implementation enabled by tabulated interaction rescaling. J Comput Chem (2010) 1.10
Composition and lipid spatial distribution of HDL particles in subjects with low and high HDL-cholesterol. J Lipid Res (2010) 1.10
Model quality assessment for membrane proteins. Bioinformatics (2010) 1.10
Multiscale modeling of emergent materials: biological and soft matter. Phys Chem Chem Phys (2009) 1.09
Tilt: major factor in sterols' ordering capability in membranes. J Phys Chem B (2006) 1.09
What happens if cholesterol is made smoother: importance of methyl substituents in cholesterol ring structure on phosphatidylcholine-sterol interaction. Biophys J (2007) 1.07
Molecular mechanism for lipid flip-flops. J Phys Chem B (2007) 1.07
Modeling anesthetic binding sites within the glycine alpha one receptor based on prokaryotic ion channel templates: the problem with TM4. J Chem Inf Model (2010) 1.05
Defect-mediated trafficking across cell membranes: insights from in silico modeling. Chem Rev (2010) 1.04
Role of lipids in spheroidal high density lipoproteins. PLoS Comput Biol (2010) 1.04
Refined OPLS all-atom force field for saturated phosphatidylcholine bilayers at full hydration. J Phys Chem B (2014) 1.03
Anomalous and normal diffusion of proteins and lipids in crowded lipid membranes. Faraday Discuss (2013) 1.03
Interplay of unsaturated phospholipids and cholesterol in membranes: effect of the double-bond position. Biophys J (2008) 1.01
Atom-scale molecular interactions in lipid raft mixtures. Biochim Biophys Acta (2008) 1.00
Cholesterol induces specific spatial and orientational order in cholesterol/phospholipid membranes. PLoS One (2010) 1.00
Role of sterol type on lateral pressure profiles of lipid membranes affecting membrane protein functionality: Comparison between cholesterol, desmosterol, 7-dehydrocholesterol and ketosterol. J Struct Biol (2007) 1.00
Pressure-area isotherm of a lipid monolayer from molecular dynamics simulations. Langmuir (2007) 1.00
An elevated level of cholesterol impairs self-assembly of pulmonary surfactant into a functional film. Biophys J (2007) 1.00
Lateral diffusion in lipid membranes through collective flows. J Am Chem Soc (2007) 1.00
Position-resolved free energy of solvation for amino acids in lipid membranes from molecular dynamics simulations. Proteins (2008) 0.99
Lateral sorting in model membranes by cholesterol-mediated hydrophobic matching. Proc Natl Acad Sci U S A (2011) 0.98
Titratable amino acid solvation in lipid membranes as a function of protonation state. J Phys Chem B (2009) 0.98
Concerted diffusion of lipids in raft-like membranes. Faraday Discuss (2010) 0.97
Free energy of WALP23 dimer association in DMPC, DPPC, and DOPC bilayers. Chem Phys Lipids (2013) 0.97
Ion leakage through transient water pores in protein-free lipid membranes driven by transmembrane ionic charge imbalance. Biophys J (2007) 0.97
The molecular mechanism of monolayer-bilayer transformations of lung surfactant from molecular dynamics simulations. Biophys J (2007) 0.97
Lipid transmembrane asymmetry and intrinsic membrane potential: two sides of the same coin. J Am Chem Soc (2007) 0.97
Impact of cholesterol on voids in phospholipid membranes. J Chem Phys (2004) 0.96
Comparison of cholesterol and its direct precursors along the biosynthetic pathway: effects of cholesterol, desmosterol and 7-dehydrocholesterol on saturated and unsaturated lipid bilayers. J Chem Phys (2008) 0.96
Normal-mode analysis of the glycine alpha1 receptor by three separate methods. J Chem Inf Model (2007) 0.96
Significance of cholesterol methyl groups. J Phys Chem B (2008) 0.96
Molecular mechanism for the dual alcohol modulation of Cys-loop receptors. PLoS Comput Biol (2012) 0.95
Role of phosphatidylglycerols in the stability of bacterial membranes. Biochimie (2008) 0.95
Influence of cis double-bond parametrization on lipid membrane properties: how seemingly insignificant details in force-field change even qualitative trends. J Chem Phys (2008) 0.95
Influence of DPH on the structure and dynamics of a DPPC bilayer. Biophys J (2005) 0.94
Influence of ethanol on lipid membranes: from lateral pressure profiles to dynamics and partitioning. J Phys Chem B (2008) 0.94
Atomistic simulations of phosphatidylcholines and cholesteryl esters in high-density lipoprotein-sized lipid droplet and trilayer: clues to cholesteryl ester transport and storage. Biophys J (2009) 0.93
Temperature-induced structural transition in-situ in porcine lens--changes observed in void size distribution. Biochim Biophys Acta (2010) 0.93
Membrane potential and electrostatics of phospholipid bilayers with asymmetric transmembrane distribution of anionic lipids. J Phys Chem B (2008) 0.92
Strain hardening, avalanches, and strain softening in dense cross-linked actin networks. Phys Rev E Stat Nonlin Soft Matter Phys (2008) 0.91
Lipid exchange mechanism of the cholesteryl ester transfer protein clarified by atomistic and coarse-grained simulations. PLoS Comput Biol (2012) 0.91
Effect of double bond position on lipid bilayer properties: insight through atomistic simulations. J Phys Chem B (2007) 0.91
Effect of sphingomyelin headgroup size on molecular properties and interactions with cholesterol. Biophys J (2010) 0.91