Molecular dynamics simulations of proteins in lipid bilayers.
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Klaus Schulten | Yi Wang | James Gumbart | Emad Tajkhorshid | K. Schulten | E. Tajkhorshid | J. Gumbart | A. Aksimentiev | Yi Wang | Alekseij Aksimentiev
[1] J. C. Phillips,et al. Molecular Dynamics Study of Bacteriorhodopsin and the Purple Membrane , 2001 .
[2] Klaus Schulten,et al. Molecular dynamics investigation of primary photoinduced events in the activation of rhodopsin. , 2002, Biophysical journal.
[3] K. Schulten,et al. Electrostatic tuning of permeation and selectivity in aquaporin water channels. , 2003, Biophysical journal.
[4] José D Faraldo-Gómez,et al. Molecular dynamics simulations of the bacterial outer membrane protein FhuA: a comparative study of the ferrichrome-free and bound states. , 2003, Biophysical journal.
[5] A. Mark,et al. Simulation of MscL gating in a bilayer under stress. , 2003, Biophysical journal.
[6] Christian Kandt,et al. Water dynamics simulation as a tool for probing proton transfer pathways in a heptahelical membrane protein , 2004, Proteins.
[7] M. Sansom,et al. Filter flexibility and distortion in a bacterial inward rectifier K+ channel: simulation studies of KirBac1.1. , 2004, Biophysical journal.
[8] Donald E Elmore,et al. Investigating lipid composition effects on the mechanosensitive channel of large conductance (MscL) using molecular dynamics simulations. , 2003, Biophysical journal.
[9] José D Faraldo-Gómez,et al. OmpA: a pore or not a pore? Simulation and modeling studies. , 2002, Biophysical journal.
[10] B. Roux,et al. Energetics of ion conduction through the gramicidin channel , 2003, Proceedings of the National Academy of Sciences of the United States of America.
[11] Ilya A. Balabin,et al. Insights into the molecular mechanism of rotation in the Fo sector of ATP synthase. , 2004, Biophysical journal.
[12] C. Ramseyer,et al. Targeted molecular dynamics of an open-state KcsA channel. , 2005, The Journal of chemical physics.
[13] B. Chait,et al. The structure of the potassium channel: molecular basis of K+ conduction and selectivity. , 1998, Science.
[14] K. Schulten,et al. Energetics of glycerol conduction through aquaglyceroporin GlpF , 2002, Proceedings of the National Academy of Sciences of the United States of America.
[15] K. Schulten,et al. Gating of MscL studied by steered molecular dynamics. , 2003, Biophysical journal.
[16] M. Sansom,et al. Potassium channel, ions, and water: simulation studies based on the high resolution X-ray structure of KcsA. , 2003, Biophysical journal.
[17] W. Im,et al. Ions and counterions in a biological channel: a molecular dynamics simulation of OmpF porin from Escherichia coli in an explicit membrane with 1 M KCl aqueous salt solution. , 2002, Journal of molecular biology.
[18] Thomas B Woolf,et al. Molecular dynamics simulation of dark-adapted rhodopsin in an explicit membrane bilayer: coupling between local retinal and larger scale conformational change. , 2003, Journal of molecular biology.
[19] D. Tieleman,et al. Computer simulation of the KvAP voltage‐gated potassium channel: steered molecular dynamics of the voltage sensor , 2004, FEBS letters.
[20] K. Schulten,et al. Molecular dynamics study of aquaporin‐1 water channel in a lipid bilayer , 2001, FEBS letters.
[21] M. Sansom,et al. Molecular dynamics simulations of GlpF in a micelle vs in a bilayer: conformational dynamics of a membrane protein as a function of environment. , 2005, The journal of physical chemistry. B.
[22] Kaihsu Tai,et al. Molecular dynamics simulation of the M2 helices within the nicotinic acetylcholine receptor transmembrane domain: structure and collective motions. , 2005, Biophysical journal.
[23] Klaus Schulten,et al. Excitons in a photosynthetic light-harvesting system: a combined molecular dynamics, quantum chemistry, and polaron model study. , 2001, Physical review. E, Statistical, nonlinear, and soft matter physics.
[24] M. Sansom,et al. Homology modelling and molecular dynamics simulations: comparative studies of human aquaporin-1 , 2004, European Biophysics Journal.
[25] Sergei Sukharev,et al. Water dynamics and dewetting transitions in the small mechanosensitive channel MscS. , 2004, Biophysical journal.
[26] Ursula Rothlisberger,et al. Early steps of the intramolecular signal transduction in rhodopsin explored by molecular dynamics simulations. , 2002, Biochemistry.
[27] E. Tajkhorshid,et al. Molecular basis of proton blockage in aquaporins. , 2004, Structure.
[28] K. Schulten,et al. Imaging alpha-hemolysin with molecular dynamics: ionic conductance, osmotic permeability, and the electrostatic potential map. , 2005, Biophysical journal.
[29] K. Schulten,et al. Pressure-induced water transport in membrane channels studied by molecular dynamics. , 2002, Biophysical journal.
[30] K. Schulten,et al. Mechanisms of selectivity in channels and enzymes studied with interactive molecular dynamics. , 2003, Biophysical journal.
[31] Donald Bashford,et al. Proton affinity changes driving unidirectional proton transport in the bacteriorhodopsin photocycle. , 2003, Journal of molecular biology.
[32] Marc Baaden,et al. A molecular dynamics investigation of mono and dimeric states of the outer membrane enzyme OMPLA. , 2003, Journal of molecular biology.
[33] K. Schulten,et al. Role of water in transient cytochrome c2 docking , 2004 .
[34] P. Crozier,et al. How environment supports a state: molecular dynamics simulations of two states in bacteriorhodopsin suggest lipid and water compensation. , 2004, Biophysical journal.
[35] Klaus Schulten,et al. Lipid bilayer pressure profiles and mechanosensitive channel gating. , 2004, Biophysical journal.
[36] K. Schulten,et al. Theory and simulation of water permeation in aquaporin-1. , 2004, Biophysical journal.
[37] Marc Baaden,et al. OmpT: molecular dynamics simulations of an outer membrane enzyme. , 2004, Biophysical journal.
[38] B. L. de Groot,et al. The mechanism of proton exclusion in the aquaporin-1 water channel. , 2003, Journal of molecular biology.
[39] Klaus Gerwert,et al. Dynamics of water molecules in the bacteriorhodopsin trimer in explicit lipid/water environment. , 2004, Biophysical journal.
[40] Helmut Grubmüller,et al. The dynamics and energetics of water permeation and proton exclusion in aquaporins. , 2005, Current opinion in structural biology.
[41] D Peter Tieleman,et al. Orientation and interactions of dipolar molecules during transport through OmpF porin , 2002, FEBS letters.
[42] K. Schulten,et al. What makes an aquaporin a glycerol channel? A comparative study of AqpZ and GlpF. , 2005, Structure.
[43] B. L. de Groot,et al. A refined structure of human aquaporin‐1 , 2001, FEBS letters.
[44] K. Schulten,et al. Molecular dynamics study of gating in the mechanosensitive channel of small conductance MscS. , 2004, Biophysical journal.
[45] Michele Cascella,et al. Dynamics and energetics of water permeation through the aquaporin channel , 2004, Proteins.
[46] B. Roux,et al. Control of ion selectivity in potassium channels by electrostatic and dynamic properties of carbonyl ligands , 2004, Nature.
[47] Hualiang Jiang,et al. Conformational dynamics of the nicotinic acetylcholine receptor channel: a 35-ns molecular dynamics simulation study. , 2005, Journal of the American Chemical Society.
[48] K. Schulten,et al. The mechanism of proton exclusion in aquaporin channels , 2004, Proteins.
[49] Patrick Polzer,et al. Structure of the Rotor Ring of F-Type Na+-ATPase from Ilyobacter tartaricus , 2005, Science.
[50] M. Sansom,et al. Membrane protein dynamics versus environment: simulations of OmpA in a micelle and in a bilayer. , 2003, Journal of molecular biology.
[51] K. Schulten,et al. The mechanism of glycerol conduction in aquaglyceroporins. , 2001, Structure.
[52] Alessandro Laio,et al. Microscopic Mechanism of Antibiotics Translocation through a Porin. , 2004, Biophysical journal.
[53] T. Huber,et al. Membrane model for the G-protein-coupled receptor rhodopsin: hydrophobic interface and dynamical structure. , 2004, Biophysical journal.
[54] V. Gordeliy,et al. Water molecules and hydrogen-bonded networks in bacteriorhodopsin--molecular dynamics simulations of the ground state and the M-intermediate. , 2005, Biophysical journal.
[55] Klaus Schulten,et al. Mechanism of anionic conduction across ClC. , 2004, Biophysical journal.
[56] Ichiro Yamato,et al. Structure of the Rotor of the V-Type Na+-ATPase from Enterococcus hirae , 2005, Science.
[57] Ronald M. Welch,et al. Climatic Impact of Tropical Lowland Deforestation on Nearby Montane Cloud Forests , 2001, Science.
[58] Shin-Ho Chung,et al. Influence of protein flexibility on the electrostatic energy landscape in gramicidin A , 2005, European Biophysics Journal.
[59] A. Warshel,et al. What really prevents proton transport through aquaporin? Charge self-energy versus proton wire proposals. , 2003, Biophysical journal.
[60] K. Schulten,et al. Control of the Selectivity of the Aquaporin Water Channel Family by Global Orientational Tuning , 2002, Science.
[61] Benoît Roux,et al. A gate in the selectivity filter of potassium channels. , 2005, Structure.
[62] Klaus Schulten,et al. Molecular dynamics simulations of discoidal bilayers assembled from truncated human lipoproteins. , 2005, Biophysical journal.
[63] David L Bostick,et al. Exterior site occupancy infers chloride-induced proton gating in a prokaryotic homolog of the ClC chloride channel. , 2004, Biophysical journal.