Search Results - "Jensen, Morten Ø."

Mechanism of NMDA receptor channel block by MK-801 and memantine by Song, Xianqiang, Jensen, Morten Ø., Jogini, Vishwanath, Stein, Richard A., Lee, Chia-Hsueh, Mchaourab, Hassane S., Shaw, David E., Gouaux, Eric

“…The NMDA ( N -methyl- d -aspartate) receptor transduces the binding of glutamate and glycine, coupling it to the opening of a calcium-permeable ion channel 1 …”
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Mechanism of Voltage Gating in Potassium Channels by Jensen, Morten Ø., Jogini, Vishwanath, Borhani, David W., Leffler, Abba E., Dror, Ron 0., Shaw, David E.

“…The mechanism of ion channel voltage gating—how channels open and close in response to voltage changes—has been debated since Hodgkin and Huxley's seminal…”
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Principles of conduction and hydrophobic gating in K⁺ channels by Jensen, Morten Ø, Borhani, David W, Lindorff-Larsen, Kresten, Maragakis, Paul, Jogini, Vishwanath, Eastwood, Michael P, Dror, Ron O, Shaw, David E

“…We present the first atomic-resolution observations of permeation and gating in a K⁺ channel, based on molecular dynamics simulations of the Kv1.2 pore domain…”
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Atomic-level simulation of current-voltage relationships in single-file ion channels by Jensen, Morten Ø, Jogini, Vishwanath, Eastwood, Michael P, Shaw, David E

“…The difficulty in characterizing ion conduction through membrane channels at the level of individual permeation events has made it challenging to elucidate the…”
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conserved protonation-dependent switch controls drug binding in the Abl kinase by Shan, Yibing, Seeliger, Markus A, Eastwood, Michael P, Frank, Filipp, Xu, Huafeng, Jensen, Morten Ø, Dror, Ron O, Kuriyan, John, Shaw, David E

“…In many protein kinases, a characteristic conformational change (the "DFG flip") connects catalytically active and inactive conformations. Many kinase…”
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Exploring atomic resolution physiology on a femtosecond to millisecond timescale using molecular dynamics simulations by Dror, Ron O, Jensen, Morten Ø, Borhani, David W, Shaw, David E

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Fluid–Structure Interaction Analysis of Papillary Muscle Forces Using a Comprehensive Mitral Valve Model with 3D Chordal Structure by Toma, Milan, Jensen, Morten Ø., Einstein, Daniel R., Yoganathan, Ajit P., Cochran, Richard P., Kunzelman, Karyn S.

“…Numerical models of native heart valves are being used to study valve biomechanics to aid design and development of repair procedures and replacement devices…”
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Microsecond Molecular Dynamics Simulation Shows Effect of Slow Loop Dynamics on Backbone Amide Order Parameters of Proteins by Maragakis, Paul, Lindorff-Larsen, Kresten, Eastwood, Michael P, Dror, Ron O, Klepeis, John L, Arkin, Isaiah T, Jensen, Morten Ø, Xu, Huafeng, Trbovic, Nikola, Friesner, Richard A, Palmer, Arthur G, Shaw, David E

“…A molecular-level understanding of the function of a protein requires knowledge of both its structural and dynamic properties. NMR spectroscopy allows the…”
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Mechanism of Na⁺/H⁺ Antiporting by Arkin, Isaiah T., Xu, Huafeng, Jensen, Morten Ø., Arbely, Eyal, Bennett, Estelle R., Bowers, Kevin J., Chow, Edmond, Dror, Ron O., Eastwood, Michael P., Flitman-Tene, Ravenna, Gregersen, Brent A., Klepeis, John L., Kolossváry, István, Shan, Yibing, Shaw, David E.

“…Na⁺/H⁺ antiporters are central to cellular salt and pH homeostasis. The structure of Escherichia coli NhaA was recently determined, but its mechanisms of…”
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Energetics of Glycerol Conduction through Aquaglyceroporin GlpF by Jensen, Morten Ø., Park, Sanghyun, Tajkhorshid, Emad, Schulten, Klaus

“…Aquaglyceroporin GlpF selectively conducts water and linear polyalcohols, such as glycerol, across the inner membrane of Escherichia coli. We report steered…”
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Control of the Selectivity of the Aquaporin Water Channel Family by Global Orientational Tuning by Tajkhorshid, Emad, Nollert, Peter, Jensen, Morten Ø., Larry J. W. Miercke, O'Connell, Joseph, Stroud, Robert M., Schulten, Klaus

“…Aquaporins are transmembrane channels found in cell membranes of all life forms. We examine their apparently paradoxical property, facilitation of efficient…”
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Electrostatic Tuning of Permeation and Selectivity in Aquaporin Water Channels by Jensen, Morten Ø., Tajkhorshid, Emad, Schulten, Klaus

“…Water permeation and electrostatic interactions between water and channel are investigated in the Escherichia coli glycerol uptake facilitator GlpF, a member…”
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Dynamic control of slow water transport by aquaporin 0: Implications for hydration and junction stability in the eye lens by Jensen, Morten Ø, Dror, Ron O, Xu, Huafeng, Borhani, David W, Arkin, Isaiah T, Eastwood, Michael P, Shaw, David E

“…Aquaporin 0 (AQP0), the most abundant membrane protein in mammalian lens fiber cells, not only serves as the primary water channel in this tissue but also…”
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Reparameterization of All-Atom Dipalmitoylphosphatidylcholine Lipid Parameters Enables Simulation of Fluid Bilayers at Zero Tension by Sonne, Jacob, Jensen, Morten Ø., Hansen, Flemming Y., Hemmingsen, Lars, Peters, Günther H.

“…Molecular dynamics simulations of dipalmitoylphosphatidylcholine (DPPC) lipid bilayers using the CHARMM27 force field in the tensionless isothermal-isobaric (…”
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Suture Forces in Undersized Mitral Annuloplasty: Novel Device and Measurements by Siefert, Andrew W., MS, Pierce, Eric L., BS, Lee, Madonna, MD, Jensen, Morten Ø., PhD, Aoki, Chikashi, MD, Takebayashi, Satoshi, MD, Fernandez Esmerats, Joan, MS, Gorman, Robert C., MD, Gorman, Joseph H., MD, Yoganathan, Ajit P., PhD

“…Purpose To demonstrate the first use of a novel technology for quantifying suture forces on annuloplasty rings to better understand the mechanisms of ring…”
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Equipartition and the Calculation of Temperature in Biomolecular Simulations by Eastwood, Michael P., Stafford, Kate A., Lippert, Ross A., Jensen, Morten Ø., Maragakis, Paul, Predescu, Cristian, Dror, Ron O., Shaw, David E.

“…Since the behavior of biomolecules can be sensitive to temperature, the ability to accurately calculate and control the temperature in molecular dynamics (MD)…”
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Ammonium Recruitment and Ammonia Transport by E. coli Ammonia Channel AmtB by Nygaard, Thomas P., Rovira, Carme, Peters, Günther H., Jensen, Morten Ø.

“…To investigate substrate recruitment and transport across the Escherichia coli Ammonia transporter B (AmtB) protein, we performed molecular dynamics…”
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Simulation of the Coupling between Nucleotide Binding and Transmembrane Domains in the ATP Binding Cassette Transporter BtuCD by Sonne, Jacob, Kandt, Christian, Peters, Günther H., Hansen, Flemming Y., Jensen, Morten Ø., Tieleman, D. Peter

“…The nucleotide-induced structural rearrangements in ATP binding cassette (ABC) transporters, leading to substrate translocation, are largely unknown. We have…”
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Computationally efficient molecular dynamics integrators with improved sampling accuracy by Predescu, Cristian, Lippert, Ross A., Eastwood, Michael P., Ierardi, Douglas, Xu, Huafeng, Jensen, Morten Ø., Bowers, Kevin J., Gullingsrud, Justin, Rendleman, Charles A., Dror, Ron O., Shaw, David E.

“…The design of numerical integrators for particle simulations with arbitrary potentials entails fundamental trade-offs between the accuracy achieved and the…”
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Simulations of a Membrane-Anchored Peptide: Structure, Dynamics, and Influence on Bilayer Properties by Jensen, Morten Ø., Mouritsen, Ole G., Peters, Günther H.

“…A three-dimensional structure of a model decapeptide is obtained by performing molecular dynamics simulations of the peptide in explicit water. Interactions…”
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