Published in Biophys J on August 03, 2011
Transient formation of water-conducting states in membrane transporters. Proc Natl Acad Sci U S A (2013) 1.17
Mechanistic picture for conformational transition of a membrane transporter at atomic resolution. Proc Natl Acad Sci U S A (2013) 1.07
On the origin of large flexibility of P-glycoprotein in the inward-facing state. J Biol Chem (2013) 1.06
Visualizing functional motions of membrane transporters with molecular dynamics simulations. Biochemistry (2013) 0.96
Interactions among the A and T units of an ECF-type biotin transporter analyzed by site-specific crosslinking. PLoS One (2011) 0.94
Delineation of the Pasteurellaceae-specific GbpA-family of glutathione-binding proteins. BMC Biochem (2011) 0.80
Nucleotide-free MalK drives the transition of the maltose transporter to the inward-facing conformation. J Biol Chem (2014) 0.80
Retinoid binding properties of nucleotide binding domain 1 of the Stargardt disease-associated ATP binding cassette (ABC) transporter, ABCA4. J Biol Chem (2012) 0.79
Release of Entropic Spring Reveals Conformational Coupling Mechanism in the ABC Transporter BtuCD-F. Biophys J (2016) 0.76
Cloning and Iron Transportation of Nucleotide Binding Domain of Cryptosporidium andersoni ATP-Binding Cassette (CaABC) Gene. Korean J Parasitol (2015) 0.75
Formation of a Chloride-conducting State in the Maltose ATP-binding Cassette (ABC) Transporter. J Biol Chem (2016) 0.75
Predictive Structure and Topology of Peroxisomal ATP-Binding Cassette (ABC) Transporters. Int J Mol Sci (2017) 0.75
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Structure of P-glycoprotein reveals a molecular basis for poly-specific drug binding. Science (2009) 8.65
Structure of a bacterial multidrug ABC transporter. Nature (2006) 7.76
The E. coli BtuCD structure: a framework for ABC transporter architecture and mechanism. Science (2002) 7.21
Structure, function, and evolution of bacterial ATP-binding cassette systems. Microbiol Mol Biol Rev (2008) 5.97
Flexibility in the ABC transporter MsbA: Alternating access with a twist. Proc Natl Acad Sci U S A (2007) 4.85
ATP binding to the motor domain from an ABC transporter drives formation of a nucleotide sandwich dimer. Mol Cell (2002) 4.79
ABC transporters: the power to change. Nat Rev Mol Cell Biol (2009) 4.48
Crystal structure of a catalytic intermediate of the maltose transporter. Nature (2007) 4.20
A tweezers-like motion of the ATP-binding cassette dimer in an ABC transport cycle. Mol Cell (2003) 3.88
ATP-binding cassette transporters in bacteria. Annu Rev Biochem (2004) 3.88
Structure and mechanism of ABC transporter proteins. Curr Opin Struct Biol (2007) 3.79
Structure of an ABC transporter in complex with its binding protein. Nature (2007) 3.19
MultiSeq: unifying sequence and structure data for evolutionary analysis. BMC Bioinformatics (2006) 2.81
An inward-facing conformation of a putative metal-chelate-type ABC transporter. Science (2006) 2.80
Structure of the multidrug ABC transporter Sav1866 from Staphylococcus aureus in complex with AMP-PNP. FEBS Lett (2007) 2.56
Review. Structure and mechanism of ATP-binding cassette transporters. Philos Trans R Soc Lond B Biol Sci (2009) 2.47
Structural insights into ABC transporter mechanism. Curr Opin Struct Biol (2008) 2.33
Alternating access in maltose transporter mediated by rigid-body rotations. Mol Cell (2009) 2.20
Generalized correlation for biomolecular dynamics. Proteins (2006) 2.17
Asymmetry in the structure of the ABC transporter-binding protein complex BtuCD-BtuF. Science (2007) 2.14
A structural classification of substrate-binding proteins. FEBS Lett (2010) 2.14
Bacterial binding protein-dependent permeases: characterization of distinctive signatures for functionally related integral cytoplasmic membrane proteins. Mol Microbiol (1994) 1.89
The high-affinity E. coli methionine ABC transporter: structure and allosteric regulation. Science (2008) 1.83
ATP hydrolysis is required to reset the ATP-binding cassette dimer into the resting-state conformation. Proc Natl Acad Sci U S A (2005) 1.83
Structural basis of trans-inhibition in a molybdate/tungstate ABC transporter. Science (2008) 1.81
Uptake or extrusion: crystal structures of full ABC transporters suggest a common mechanism. Mol Microbiol (2007) 1.67
In vitro functional characterization of BtuCD-F, the Escherichia coli ABC transporter for vitamin B12 uptake. Biochemistry (2005) 1.65
Crystal structure of the nucleotide-binding domain of the ABC-transporter haemolysin B: identification of a variable region within ABC helical domains. J Mol Biol (2003) 1.63
Both maltose-binding protein and ATP are required for nucleotide-binding domain closure in the intact maltose ABC transporter. Proc Natl Acad Sci U S A (2008) 1.59
The mechanism of ABC transporters: general lessons from structural and functional studies of an antigenic peptide transporter. FASEB J (2009) 1.43
ATP modulates subunit-subunit interactions in an ATP-binding cassette transporter (MalFGK2) determined by site-directed chemical cross-linking. J Biol Chem (2000) 1.22
Mechanism of ABC transporters: a molecular dynamics simulation of a well characterized nucleotide-binding subunit. Proc Natl Acad Sci U S A (2002) 1.19
Thermal stability of apolipoprotein A-I in high-density lipoproteins by molecular dynamics. Biophys J (2009) 1.10
Dimer opening of the nucleotide binding domains of ABC transporters after ATP hydrolysis. Biophys J (2008) 1.08
The dynamics of the MgATP-driven closure of MalK, the energy-transducing subunit of the maltose ABC transporter. J Biol Chem (2006) 1.04
ATP-binding cassette transporters in Escherichia coli. Biochim Biophys Acta (2008) 1.02
Insights into how nucleotide-binding domains power ABC transport. Structure (2009) 0.97
The remarkable transport mechanism of P-glycoprotein: a multidrug transporter. J Bioenerg Biomembr (2005) 0.96
Novel missense mutations that affect the transport function of MalK, the ATP-binding-cassette subunit of the Salmonella enterica serovar typhimurium maltose transport system. J Bacteriol (2000) 0.87
Scalable molecular dynamics with NAMD. J Comput Chem (2005) 59.49
Structural mechanism of plant aquaporin gating. Nature (2005) 3.64
Energetics of glycerol conduction through aquaglyceroporin GlpF. Proc Natl Acad Sci U S A (2002) 3.60
Pressure-induced water transport in membrane channels studied by molecular dynamics. Biophys J (2002) 2.78
Theory and simulation of water permeation in aquaporin-1. Biophys J (2004) 2.63
Collective diffusion model for water permeation through microscopic channels. Phys Rev Lett (2004) 2.53
Electrostatic tuning of permeation and selectivity in aquaporin water channels. Biophys J (2003) 2.31
Mechanisms of selectivity in channels and enzymes studied with interactive molecular dynamics. Biophys J (2003) 2.24
Calculation of the gating charge for the Kv1.2 voltage-activated potassium channel. Biophys J (2010) 1.87
What makes an aquaporin a glycerol channel? A comparative study of AqpZ and GlpF. Structure (2005) 1.80
Substrate binding and formation of an occluded state in the leucine transporter. Biophys J (2007) 1.77
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
Molecular dynamics simulations of membrane channels and transporters. Curr Opin Struct Biol (2009) 1.58
Dynamics of K+ ion conduction through Kv1.2. Biophys J (2006) 1.54
Molecular basis of proton blockage in aquaporins. Structure (2004) 1.51
Ion-releasing state of a secondary membrane transporter. Biophys J (2009) 1.50
Structural basis for iron piracy by pathogenic Neisseria. Nature (2012) 1.50
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
Dynamics of the extracellular gate and ion-substrate coupling in the glutamate transporter. Biophys J (2008) 1.46
Color tuning in rhodopsins: the mechanism for the spectral shift between bacteriorhodopsin and sensory rhodopsin II. J Am Chem Soc (2006) 1.43
Exploring gas permeability of cellular membranes and membrane channels with molecular dynamics. J Struct Biol (2007) 1.37
Functional interplay between acetylation and methylation of the RelA subunit of NF-kappaB. Mol Cell Biol (2010) 1.36
Classical force field parameters for the heme prosthetic group of cytochrome c. J Comput Chem (2004) 1.36
Electrostatic funneling of substrate in mitochondrial inner membrane carriers. Proc Natl Acad Sci U S A (2008) 1.34
Distinct structural and adhesive roles of Ca2+ in membrane binding of blood coagulation factors. Structure (2008) 1.33
Mechanics of force propagation in TonB-dependent outer membrane transport. Biophys J (2007) 1.30
Identification of the third Na+ site and the sequence of extracellular binding events in the glutamate transporter. Biophys J (2010) 1.25
Molecular dynamics simulation of bacteriorhodopsin's photoisomerization using ab initio forces for the excited chromophore. Biophys J (2003) 1.22
Modeling and dynamics of the inward-facing state of a Na+/Cl- dependent neurotransmitter transporter homologue. PLoS Comput Biol (2010) 1.20
Sugar binding and protein conformational changes in lactose permease. Biophys J (2006) 1.20
Mechanism of signal propagation upon retinal isomerization: insights from molecular dynamics simulations of rhodopsin restrained by normal modes. Biophys J (2008) 1.18
Transient formation of water-conducting states in membrane transporters. Proc Natl Acad Sci U S A (2013) 1.17
Sugar transport across lactose permease probed by steered molecular dynamics. Biophys J (2007) 1.16
Mechanism of gating and ion conductivity of a possible tetrameric pore in aquaporin-1. Structure (2006) 1.16
Diffusion of glycerol through Escherichia coli aquaglyceroporin GlpF. Biophys J (2007) 1.16
Characterizing the membrane-bound state of cytochrome P450 3A4: structure, depth of insertion, and orientation. J Am Chem Soc (2013) 1.15
Atomic view of calcium-induced clustering of phosphatidylserine in mixed lipid bilayers. Biochemistry (2011) 1.13
Blood clotting reactions on nanoscale phospholipid bilayers. Thromb Res (2008) 1.12
Structure and permeation mechanism of a mammalian urea transporter. Proc Natl Acad Sci U S A (2012) 1.11
Rapid parameterization of small molecules using the Force Field Toolkit. J Comput Chem (2013) 1.10
Accelerating membrane insertion of peripheral proteins with a novel membrane mimetic model. Biophys J (2012) 1.08
Dimer opening of the nucleotide binding domains of ABC transporters after ATP hydrolysis. Biophys J (2008) 1.08
Molecular determinants of phospholipid synergy in blood clotting. J Biol Chem (2011) 1.08
Mechanistic picture for conformational transition of a membrane transporter at atomic resolution. Proc Natl Acad Sci U S A (2013) 1.07
On the origin of large flexibility of P-glycoprotein in the inward-facing state. J Biol Chem (2013) 1.06
Molecular dynamics investigation of the ω-current in the Kv1.2 voltage sensor domains. Biophys J (2012) 1.03
Peptide aggregation and pore formation in a lipid bilayer: a combined coarse-grained and all atom molecular dynamics study. Biophys J (2008) 1.03
Unique conformer selection of human growth-regulatory lectin galectin-1 for ganglioside GM1 versus bacterial toxins. Biochemistry (2003) 1.02
Potential cation and H+ binding sites in acid sensing ion channel-1. Biophys J (2008) 1.00
Tyrosine phosphorylation by Src within the cavity of the adenine nucleotide translocase 1 regulates ADP/ATP exchange in mitochondria. Am J Physiol Cell Physiol (2009) 0.98
Simulation of spontaneous substrate binding revealing the binding pathway and mechanism and initial conformational response of GlpT. Biochemistry (2010) 0.97
Visualizing functional motions of membrane transporters with molecular dynamics simulations. Biochemistry (2013) 0.96
Nitric oxide conduction by the brain aquaporin AQP4. Proteins (2010) 0.96
Developing an energy landscape for the novel function of a (beta/alpha)8 barrel: ammonia conduction through HisF. Proc Natl Acad Sci U S A (2003) 0.95
Capturing spontaneous partitioning of peripheral proteins using a biphasic membrane-mimetic model. J Phys Chem B (2011) 0.95
Structural basis of substrate selectivity in the glycerol-3-phosphate: phosphate antiporter GlpT. Biophys J (2009) 0.95
Photochemical reaction dynamics of the primary event of vision studied by means of a hybrid molecular simulation. Biophys J (2009) 0.94
A gate-free pathway for substrate release from the inward-facing state of the Na⁺-galactose transporter. Biochim Biophys Acta (2011) 0.91
Movement of NH₃ through the human urea transporter B: a new gas channel. Am J Physiol Renal Physiol (2013) 0.90
Molecular mechanisms of conduction and selectivity in aquaporin water channels. J Nutr (2007) 0.90
Tracing cytoplasmic Ca(2+) ion and water access points in the Ca(2+)-ATPase. Biophys J (2012) 0.90
Role of hydrogen-bond network in energy storage of bacteriorhodopsin's light-driven proton pump revealed by ab initio normal-mode analysis. J Am Chem Soc (2004) 0.90
Molecular basis for the activation of a catalytic asparagine residue in a self-cleaving bacterial autotransporter. J Mol Biol (2011) 0.89
Structural and functional analysis of SoPIP2;1 mutants adds insight into plant aquaporin gating. J Mol Biol (2009) 0.89
Coupling of calcium and substrate binding through loop alignment in the outer-membrane transporter BtuB. J Mol Biol (2009) 0.88
Efficient Exploration of Membrane-Associated Phenomena at Atomic Resolution. J Membr Biol (2015) 0.87
Water access points and hydration pathways in CLC H+/Cl- transporters. Proc Natl Acad Sci U S A (2013) 0.87
Driven Metadynamics: Reconstructing Equilibrium Free Energies from Driven Adaptive-Bias Simulations. J Phys Chem Lett (2013) 0.87
Exploring transmembrane diffusion pathways with molecular dynamics. Physiology (Bethesda) (2010) 0.85
Resolution enhancement in solid-state NMR of oriented membrane proteins by anisotropic differential linebroadening. J Am Chem Soc (2008) 0.84
Incorporation of antimicrobial peptides into membranes: a combined liquid-state NMR and molecular dynamics study of alamethicin in DMPC/DHPC bicelles. J Phys Chem B (2009) 0.84
Partitioning of amino acids into a model membrane: capturing the interface. J Phys Chem B (2014) 0.84
A microscopic view of phospholipid insertion into biological membranes. J Phys Chem B (2013) 0.83
Conformational dynamics at the inner gate of KcsA during activation. Biochemistry (2014) 0.83
The binding interface of cytochrome c and cytochrome c₁ in the bc₁ complex: rationalizing the role of key residues. Biophys J (2010) 0.82
Determination of structural and functional overlap/divergence of five proto-type galectins by analysis of the growth-regulatory interaction with ganglioside GM1 in silico and in vitro on human neuroblastoma cells. Int J Cancer (2005) 0.82
Characterizing a histidine switch controlling pH-dependent conformational changes of the influenza virus hemagglutinin. Biophys J (2013) 0.82
Residue-specific information about the dynamics of antimicrobial peptides from (1)H-(15)N and (2)H solid-state NMR spectroscopy. J Am Chem Soc (2009) 0.81
Protein-phospholipid interactions in blood clotting. Thromb Res (2010) 0.81
Interplay of mechanical and binding properties of Fibronectin type I. Theor Chem Acc (2010) 0.79
Capturing Functional Motions of Membrane Channels and Transporters with Molecular Dynamics Simulation. J Comput Theor Nanosci (2010) 0.79
Membrane Interaction of the Factor VIIIa Discoidin Domains in Atomistic Detail. Biochemistry (2015) 0.79
Tissue factor/factor VIIa complex: role of the membrane surface. Thromb Res (2012) 0.78
Atomistic models of general anesthetics for use in in silico biological studies. J Phys Chem B (2014) 0.78
Interaction of the α2A domain of integrin with small collagen fragments. Protein Cell (2010) 0.78
Indirect role of Ca2+ in the assembly of extracellular matrix proteins. Biophys J (2008) 0.77
Conformational Dynamics of the Human Islet Amyloid Polypeptide in a Membrane Environment: Toward the Aggregation Prone Form. Biochemistry (2016) 0.77
Enhancing Mn(II)-Binding and Manganese Peroxidase Activity in a Designed Cytochrome c Peroxidase through Fine-Tuning Secondary-Sphere Interactions. Biochemistry (2016) 0.76
Thermodynamic insight into spontaneous hydration and rapid water permeation in aquaporins. Appl Phys Lett (2014) 0.76
Simulation studies of the mechanism of membrane transporters. Methods Mol Biol (2013) 0.76
Complementarities and convergence of results in bacteriorhodopsin trimer simulations. Biophys J (2004) 0.75
Drug-drug interactions between Atorvastatin and Dronedarone mediated by monomeric CYP3A4. Biochemistry (2017) 0.75
Boosting Free-Energy Perturbation Calculations with GPU-Accelerated NAMD. J Chem Inf Model (2020) 0.75
Arachidonic Acid Metabolism by Human Cardiovascular CYP2J2 is Modulated by Doxorubicin. Biochemistry (2017) 0.75