Published in Nano Lett on May 16, 2007
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Thermal stability of apolipoprotein A-I in high-density lipoproteins by molecular dynamics. Biophys J (2009) 1.10
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Transport-related structures and processes of the nuclear pore complex studied through molecular dynamics. Structure (2009) 1.04
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All-atom and coarse-grained molecular dynamics simulations of a membrane protein stabilizing polymer. Langmuir (2011) 0.80
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Flexible fitting of atomic structures into electron microscopy maps using molecular dynamics. Structure (2008) 5.97
Structure and chemistry of cytochrome P450. Chem Rev (2005) 5.85
Control of the selectivity of the aquaporin water channel family by global orientational tuning. Science (2002) 5.78
Accelerating molecular modeling applications with graphics processors. J Comput Chem (2007) 4.83
Imaging alpha-hemolysin with molecular dynamics: ionic conductance, osmotic permeability, and the electrostatic potential map. Biophys J (2005) 4.45
Single-molecule experiments in vitro and in silico. Science (2007) 4.22
Microscopic Kinetics of DNA Translocation through synthetic nanopores. Biophys J (2004) 3.83
Calculating potentials of mean force from steered molecular dynamics simulations. J Chem Phys (2004) 3.81
Ten-microsecond molecular dynamics simulation of a fast-folding WW domain. Biophys J (2008) 3.81
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Molecular biomimetics: nanotechnology through biology. Nat Mater (2003) 3.34
Applications of phospholipid bilayer nanodiscs in the study of membranes and membrane proteins. Biochemistry (2007) 3.21
Transducin activation by nanoscale lipid bilayers containing one and two rhodopsins. J Biol Chem (2007) 3.07
Orientation discrimination of single-stranded DNA inside the alpha-hemolysin membrane channel. Proc Natl Acad Sci U S A (2005) 3.06
Structure of monomeric yeast and mammalian Sec61 complexes interacting with the translating ribosome. Science (2009) 3.00
Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics. Nature (2013) 2.98
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Structural basis for cooperative DNA binding by CAP and lac repressor. Structure (2004) 2.85
Pressure-induced water transport in membrane channels studied by molecular dynamics. Biophys J (2002) 2.78
Molecular dynamics simulations of the complete satellite tobacco mosaic virus. Structure (2006) 2.71
Ribosome-induced changes in elongation factor Tu conformation control GTP hydrolysis. Proc Natl Acad Sci U S A (2009) 2.69
Theory and simulation of water permeation in aquaporin-1. Biophys J (2004) 2.63
Self-assembly of single integral membrane proteins into soluble nanoscale phospholipid bilayers. Protein Sci (2003) 2.62
Computational studies of membrane channels. Structure (2004) 2.61
Structural dynamics of the lac repressor-DNA complex revealed by a multiscale simulation. Proc Natl Acad Sci U S A (2005) 2.61
Collective diffusion model for water permeation through microscopic channels. Phys Rev Lett (2004) 2.53
Nanodiscs separate chemoreceptor oligomeric states and reveal their signaling properties. Proc Natl Acad Sci U S A (2006) 2.52
Fluorescence-force spectroscopy maps two-dimensional reaction landscape of the holliday junction. Science (2007) 2.49
Recreation of the terminal events in physiological integrin activation. J Cell Biol (2010) 2.48
Molecular dynamics flexible fitting: a practical guide to combine cryo-electron microscopy and X-ray crystallography. Methods (2009) 2.39
Insights into the molecular mechanism of rotation in the Fo sector of ATP synthase. Biophys J (2004) 2.33
Electrostatic tuning of permeation and selectivity in aquaporin water channels. Biophys J (2003) 2.31
Lipid bilayer pressure profiles and mechanosensitive channel gating. Biophys J (2004) 2.30
Cryo-EM structure of the ribosome-SecYE complex in the membrane environment. Nat Struct Mol Biol (2011) 2.25
Mechanisms of selectivity in channels and enzymes studied with interactive molecular dynamics. Biophys J (2003) 2.24
A structural mechanism for MscS gating in lipid bilayers. Science (2008) 2.24
Functional reconstitution of Beta2-adrenergic receptors utilizing self-assembling Nanodisc technology. Biotechniques (2006) 2.22
Binding dynamics of isolated nucleoporin repeat regions to importin-beta. Structure (2005) 2.22
Steered molecular dynamics studies of titin I1 domain unfolding. Biophys J (2002) 2.13
Homotropic cooperativity of monomeric cytochrome P450 3A4 in a nanoscale native bilayer environment. Arch Biochem Biophys (2004) 2.11
Cooperativity in cytochrome P450 3A4: linkages in substrate binding, spin state, uncoupling, and product formation. J Biol Chem (2007) 2.11
Tuning the mechanical stability of fibronectin type III modules through sequence variations. Structure (2004) 2.08
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Structural insights into how the MIDAS ion stabilizes integrin binding to an RGD peptide under force. Structure (2004) 2.01
Four-scale description of membrane sculpting by BAR domains. Biophys J (2008) 2.00
Molecular dynamics study of gating in the mechanosensitive channel of small conductance MscS. Biophys J (2004) 2.00
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Common structural transitions in explicit-solvent simulations of villin headpiece folding. Biophys J (2009) 1.96
The local phospholipid environment modulates the activation of blood clotting. J Biol Chem (2007) 1.91
Stability and dynamics of virus capsids described by coarse-grained modeling. Structure (2006) 1.91
Stretching DNA using the electric field in a synthetic nanopore. Nano Lett (2005) 1.88
Water and proton conduction through carbon nanotubes as models for biological channels. Biophys J (2003) 1.87
Calculation of the gating charge for the Kv1.2 voltage-activated potassium channel. Biophys J (2010) 1.87
Structure and functional significance of mechanically unfolded fibronectin type III1 intermediates. Proc Natl Acad Sci U S A (2003) 1.86
Coarse grained protein-lipid model with application to lipoprotein particles. J Phys Chem B (2006) 1.81
Nanodiscs unravel the interaction between the SecYEG channel and its cytosolic partner SecA. EMBO J (2007) 1.81
What makes an aquaporin a glycerol channel? A comparative study of AqpZ and GlpF. Structure (2005) 1.80
Ion conduction through MscS as determined by electrophysiology and simulation. Biophys J (2006) 1.80
Imaging the migration pathways for O2, CO, NO, and Xe inside myoglobin. Biophys J (2006) 1.80
Mechanical strength of the titin Z1Z2-telethonin complex. Structure (2006) 1.79
An emerging consensus on voltage-dependent gating from computational modeling and molecular dynamics simulations. J Gen Physiol (2012) 1.72
The allosteric role of the Ca2+ switch in adhesion and elasticity of C-cadherin. Biophys J (2008) 1.72
Cse1p-binding dynamics reveal a binding pattern for FG-repeat nucleoporins on transport receptors. Structure (2007) 1.70
Assembly of single bacteriorhodopsin trimers in bilayer nanodiscs. Arch Biochem Biophys (2006) 1.68
GPU-accelerated molecular modeling coming of age. J Mol Graph Model (2010) 1.67
Discovery through the computational microscope. Structure (2009) 1.67
Challenges in protein folding simulations: Timescale, representation, and analysis. Nat Phys (2010) 1.67
Force field bias in protein folding simulations. Biophys J (2009) 1.67
Monomeric rhodopsin is sufficient for normal rhodopsin kinase (GRK1) phosphorylation and arrestin-1 binding. J Biol Chem (2010) 1.66
Identifying unfolding intermediates of FN-III(10) by steered molecular dynamics. J Mol Biol (2002) 1.65
Simulations of membrane tubulation by lattices of amphiphysin N-BAR domains. Structure (2009) 1.62
Molecular dynamics simulations of proteins in lipid bilayers. Curr Opin Struct Biol (2005) 1.62
Molecular dynamics investigation of primary photoinduced events in the activation of rhodopsin. Biophys J (2002) 1.62
Thermotropic phase transition in soluble nanoscale lipid bilayers. J Phys Chem B (2005) 1.61
A structural model for force regulated integrin binding to fibronectin's RGD-synergy site. Matrix Biol (2002) 1.60
How the headpiece hinge angle is opened: New insights into the dynamics of integrin activation. J Cell Biol (2006) 1.60
Molecular dynamics simulations of membrane channels and transporters. Curr Opin Struct Biol (2009) 1.58
Kinetic characterization of compound I formation in the thermostable cytochrome P450 CYP119. J Biol Chem (2002) 1.54
Dynamics of K+ ion conduction through Kv1.2. Biophys J (2006) 1.54
Molecular basis of fibrin clot elasticity. Structure (2008) 1.54
Atomic-level structural and functional model of a bacterial photosynthetic membrane vesicle. Proc Natl Acad Sci U S A (2007) 1.53
Molecular dynamics simulations of discoidal bilayers assembled from truncated human lipoproteins. Biophys J (2004) 1.53
Formation of salt bridges mediates internal dimerization of myosin VI medial tail domain. Structure (2010) 1.53
Excitons in a photosynthetic light-harvesting system: a combined molecular dynamics, quantum chemistry, and polaron model study. Phys Rev E Stat Nonlin Soft Matter Phys (2002) 1.52
The mechanism of proton exclusion in aquaporin channels. Proteins (2004) 1.49
Structural changes during the formation of early intermediates in the bacteriorhodopsin photocycle. Biophys J (2002) 1.49
Direct solubilization of heterologously expressed membrane proteins by incorporation into nanoscale lipid bilayers. Biotechniques (2003) 1.48