Published in Proc Natl Acad Sci U S A on June 10, 2003
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Electrostatic tuning of permeation and selectivity in aquaporin water channels. Biophys J (2003) 2.31
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On the evolution of structure in aminoacyl-tRNA synthetases. Microbiol Mol Biol Rev (2003) 2.22
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Molecular dynamics investigation of primary photoinduced events in the activation of rhodopsin. Biophys J (2002) 1.62
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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
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Color tuning in rhodopsins: the mechanism for the spectral shift between bacteriorhodopsin and sensory rhodopsin II. J Am Chem Soc (2006) 1.43
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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
The role of L1 stalk-tRNA interaction in the ribosome elongation cycle. J Mol Biol (2010) 1.35
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
Dynamics of Recognition between tRNA and elongation factor Tu. J Mol Biol (2008) 1.32
Mechanics of force propagation in TonB-dependent outer membrane transport. Biophys J (2007) 1.30
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Identification of the third Na+ site and the sequence of extracellular binding events in the glutamate transporter. Biophys J (2010) 1.25
Ab initio protein structure prediction. Curr Opin Struct Biol (2002) 1.23
Multiple Alignment of protein structures and sequences for VMD. Bioinformatics (2005) 1.23
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
Evolutionary profiles from the QR factorization of multiple sequence alignments. Proc Natl Acad Sci U S A (2005) 1.14
Determining the stability of genetic switches: explicitly accounting for mRNA noise. Phys Rev Lett (2011) 1.13
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
Exploring residue component contributions to dynamical network models of allostery. J Chem Theory Comput (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
Experimental and computational determination of tRNA dynamics. FEBS Lett (2010) 1.01
Potential cation and H+ binding sites in acid sensing ion channel-1. Biophys J (2008) 1.00
Variations in the fast folding rates of the lambda-repressor: a hybrid molecular dynamics study. Biophys J (2004) 0.99
Conformational coupling of the nucleotide-binding and the transmembrane domains in ABC transporters. Biophys J (2011) 0.99
NetworkView: 3D display and analysis of protein·RNA interaction networks. Bioinformatics (2012) 0.99
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
Structural basis of substrate selectivity in the glycerol-3-phosphate: phosphate antiporter GlpT. Biophys J (2009) 0.95
Capturing spontaneous partitioning of peripheral proteins using a biphasic membrane-mimetic model. J Phys Chem B (2011) 0.95
Photochemical reaction dynamics of the primary event of vision studied by means of a hybrid molecular simulation. Biophys J (2009) 0.94
On the physical basis of the amino acid polar requirement. J Mol Evol (2008) 0.92
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
Exit strategies for charged tRNA from GluRS. J Mol Biol (2010) 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
Functional role of ribosomal signatures. Biophys J (2010) 0.87
Water access points and hydration pathways in CLC H+/Cl- transporters. Proc Natl Acad Sci U S A (2013) 0.87
Horizontal gene transfer of zinc and non-zinc forms of bacterial ribosomal protein S4. BMC Evol Biol (2009) 0.87
Driven Metadynamics: Reconstructing Equilibrium Free Energies from Driven Adaptive-Bias Simulations. J Phys Chem Lett (2013) 0.87
Extrinsic noise driven phenotype switching in a self-regulating gene. Phys Rev Lett (2013) 0.86
Assembly of the five-way junction in the ribosomal small subunit using hybrid MD-Gō simulations. J Phys Chem B (2012) 0.86
DNA looping increases the range of bistability in a stochastic model of the lac genetic switch. Phys Biol (2013) 0.86
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