Electron-transfer chain in respiratory complex I

[1]  R. Baradaran,et al.  Structure of bacterial respiratory complex I. , 2016, Biochimica et biophysica acta.

[2]  J. Hirst,et al.  Energy conversion, redox catalysis and generation of reactive oxygen species by respiratory complex I☆ , 2016, Biochimica et biophysica acta.

[3]  Daniel R. Martin,et al.  Polarizability of the active site of cytochrome c reduces the activation barrier for electron transfer , 2016, Scientific Reports.

[4]  Richard H. Henchman,et al.  Water Determines the Structure and Dynamics of Proteins. , 2016, Chemical reviews.

[5]  D. Beratan,et al.  Where Is the Electronic Oscillator Strength? Mapping Oscillator Strength across Molecular Absorption Spectra. , 2016, The journal of physical chemistry. A.

[6]  D. Matyushov.  Protein electron transfer: is biology (thermo)dynamic? , 2015, Journal of physics. Condensed matter : an Institute of Physics journal.

[7]  J. Blumberger.  Recent Advances in the Theory and Molecular Simulation of Biological Electron Transfer Reactions. , 2015, Chemical reviews.

[8]  Ville R. I. Kaila,et al.  Redox-induced activation of the proton pump in the respiratory complex I , 2015, Proceedings of the National Academy of Sciences.

[9]  D. Matyushov,et al.  Photosynthetic diode: electron transport rectification by wetting the quinone cofactor. , 2015, Physical chemistry chemical physics : PCCP.

[10]  A. Sokolov,et al.  Protein dynamics: from rattling in a cage to structural relaxation. , 2015, Soft matter.

[11]  D. Matyushov,et al.  Communication: Microsecond dynamics of the protein and water affect electron transfer in a bacterial bc(1) complex. , 2015, The Journal of chemical physics.

[12]  Ville R. I. Kaila,et al.  New perspectives on proton pumping in cellular respiration. , 2015, Chemical reviews.

[13]  K. Dörner,et al.  Electron Tunneling Rates in Respiratory Complex I Are Tuned for Efficient Energy Conversion** , 2015, Angewandte Chemie.

[14]  Gerhard Hummer,et al.  Electrostatics, hydration, and proton transfer dynamics in the membrane domain of respiratory complex I , 2014, Proceedings of the National Academy of Sciences.

[15]  Yi Lu,et al.  Metalloproteins Containing Cytochrome, Iron–Sulfur, or Copper Redox Centers , 2014, Chemical reviews.

[16]  H. Gray,et al.  Long-Range Electron Tunneling , 2014, Journal of the American Chemical Society.

[17]  D. Matyushov.  Protein electron transfer: Dynamics and statistics. , 2013, The Journal of chemical physics.

[18]  Peter L. Freddolino,et al.  Signaling mechanisms of LOV domains: new insights from molecular dynamics studies , 2013, Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology.

[19]  J. Hirst.  Mitochondrial complex I. , 2013, Annual review of biochemistry.

[20]  D. Bloch,et al.  Energy-converting respiratory Complex I: on the way to the molecular mechanism of the proton pump. , 2013, The international journal of biochemistry & cell biology.

[21]  John M. Berrisford,et al.  Crystal structure of the entire respiratory complex I , 2013, Nature.

[22]  A. Amadei,et al.  The reversible opening of water channels in cytochrome c modulates the heme iron reduction potential. , 2012, Journal of the American Chemical Society.

[23]  M. Elstner,et al.  Charge transfer in model peptides: obtaining Marcus parameters from molecular simulation. , 2012, The journal of physical chemistry. B.

[24]  Changbong Hyeon,et al.  Capturing the essence of folding and functions of biomolecules using coarse-grained models. , 2011, Nature communications.

[25]  D. Case,et al.  Dynamics of the [4Fe-4S] cluster in Pyrococcus furiosus D14C ferredoxin via nuclear resonance vibrational and resonance Raman spectroscopies, force field simulations, and density functional theory calculations. , 2011, Biochemistry.

[26]  A. Stuchebrukhov,et al.  Quantum electron tunneling in respiratory complex I. , 2011, The journal of physical chemistry. B.

[27]  David N. LeBard,et al.  Protein-water electrostatics and principles of bioenergetics. , 2010, Physical chemistry chemical physics : PCCP.

[28]  A. Stuchebrukhov,et al.  Electron tunneling in respiratory complex I , 2010, Proceedings of the National Academy of Sciences.

[29]  Alexander D. MacKerell,et al.  Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types. , 2010, The journal of physical chemistry. B.

[30]  David N. Beratan,et al.  Fluctuations in biological and bioinspired electron-transfer reactions. , 2010, Annual review of physical chemistry.

[31]  L. Sazanov,et al.  Structural Basis for the Mechanism of Respiratory Complex I* , 2009, The Journal of Biological Chemistry.

[32]  H. Frauenfelder,et al.  A unified model of protein dynamics , 2009, Proceedings of the National Academy of Sciences.

[33]  Christopher H. Chang,et al.  Density Functional Theory Calculation of Bonding and Charge Parameters for Molecular Dynamics Studies on [FeFe] Hydrogenases. , 2009, Journal of chemical theory and computation.

[34]  M. Wikström,et al.  Real-time electron transfer in respiratory complex I , 2008, Proceedings of the National Academy of Sciences.

[35]  Mark A. Wilson,et al.  Intrinsic motions along an enzymatic reaction trajectory , 2007, Nature.

[36]  Edward I. Solomon,et al.  Solvent Tuning of Electrochemical Potentials in the Active Sites of HiPIP Versus Ferredoxin , 2007, Science.

[37]  David N Beratan,et al.  Coupling Coherence Distinguishes Structure Sensitivity in Protein Electron Transfer , 2007, Science.

[38]  Peter L. Freddolino,et al.  Dynamic switching mechanisms in LOV1 and LOV2 domains of plant phototropins. , 2006, Biophysical journal.

[39]  Arieh Warshel,et al.  Modeling electrostatic effects in proteins. , 2006, Biochimica et biophysica acta.

[40]  Tammer A. Farid,et al.  Electron tunneling chains of mitochondria. , 2006, Biochimica et biophysica acta.

[41]  D. Matyushov,et al.  Solvent reorganization entropy of electron transfer in polar solvents. , 2006, The journal of physical chemistry. A.

[42]  Michiel Sprik,et al.  Quantum versus classical electron transfer energy as reaction coordinate for the aqueous Ru2+/Ru3+ redox reaction , 2006 .

[43]  Laxmikant V. Kalé,et al.  Scalable molecular dynamics with NAMD , 2005, J. Comput. Chem..

[44]  David N. Beratan,et al.  The Nature of Aqueous Tunneling Pathways Between Electron-Transfer Proteins , 2005, Science.

[45]  M. Newton,et al.  Activation entropy of electron transfer reactions , 2005, physics/0506107.

[46]  H. Gray,et al.  Long-range electron transfer. , 2005, Proceedings of the National Academy of Sciences of the United States of America.

[47]  Osamu Miyashita,et al.  Simple energy landscape model for the kinetics of functional transitions in proteins. , 2005, The journal of physical chemistry. B.

[48]  David W. Small,et al.  The theory of electron transfer reactions: what may be missing? , 2003, Journal of the American Chemical Society.

[49]  Thomas Simonson,et al.  Electrostatics and dynamics of proteins , 2003 .

[50]  Timothy Lovell,et al.  Density functional and reduction potential calculations of Fe4S4 clusters. , 2003, Journal of the American Chemical Society.

[51]  Giuseppe Zaccai,et al.  Protein dynamics studied by neutron scattering , 2002, Quarterly Reviews of Biophysics.

[52]  A. Crisanti,et al.  Are mean-field spin-glass models relevant for the structural glass transition? , 1999, cond-mat/9911351.

[53]  Christopher C. Moser,et al.  Natural engineering principles of electron tunnelling in biological oxidation–reduction , 1999, Nature.

[54]  O. Carugo,et al.  How many water molecules can be detected by protein crystallography? , 1999, Acta crystallographica. Section D, Biological crystallography.

[55]  T. Ohnishi,et al.  Iron-sulfur clusters/semiquinones in complex I. , 1998, Biochimica et biophysica acta.

[56]  Alexander D. MacKerell,et al.  All-atom empirical potential for molecular modeling and dynamics studies of proteins. , 1998, The journal of physical chemistry. B.

[57]  H. Beinert,et al.  Iron-sulfur clusters: nature's modular, multipurpose structures. , 1997, Science.

[58]  Alexander D. MacKerell,et al.  A molecular mechanics force field for NAD+ NADH, and the pyrophosphate groups of nucleotides , 1997, J. Comput. Chem..

[59]  J. Friedman,et al.  Ordered water molecules as key allosteric mediators in a cooperative dimeric hemoglobin. , 1996, Proceedings of the National Academy of Sciences of the United States of America.

[60]  P. Barbara,et al.  Contemporary Issues in Electron Transfer Research , 1996 .

[61]  K Schulten,et al.  VMD: visual molecular dynamics. , 1996, Journal of molecular graphics.

[62]  D. Case,et al.  Orbital interactions, electron delocalization and spin coupling in iron-sulfur clusters , 1995 .

[63]  G. Hummer,et al.  On the free energy of ionic hydration , 1995, chem-ph/9505005.

[64]  C. Angell,et al.  Formation of Glasses from Liquids and Biopolymers , 1995, Science.

[65]  Arieh Warshel,et al.  Computer Modeling of Chemical Reactions in Enzymes and Solutions , 1991 .

[66]  B Honig,et al.  Electrostatic control of midpoint potentials in the cytochrome subunit of the Rhodopseudomonas viridis reaction center. , 1991, Proceedings of the National Academy of Sciences of the United States of America.

[67]  D J Barlow,et al.  The distribution of charged groups in proteins , 1986, Biopolymers.

[68]  R. Marcus,et al.  Electron transfers in chemistry and biology , 1985 .

[69]  Arieh Warshel,et al.  Dynamics of reactions in polar solvents. Semiclassical trajectory studies of electron-transfer and proton-transfer reactions , 1982 .

[70]  A. Warshel,et al.  An empirical valence bond approach for comparing reactions in solutions and in enzymes , 1980 .

[71]  B Chance,et al.  Studies of photosynthesis using a pulsed laser. I. Temperature dependence of cytochrome oxidation rate in chromatium. Evidence for tunneling. , 1966, Biophysical journal.

[72]  Ια,et al.  Energy Converting NADH : Quinone Oxidoreductase ( Complex I ) , 2012 .

[73]  P. Ball.  Water as an active constituent in cell biology. , 2008, Chemical reviews.

[74]  G. Scuseria,et al.  Gaussian 03, Revision E.01. , 2007 .

[75]  Jens Ulstrup,et al.  Electron Transfer in Chemistry and Biology: An Introduction to the Theory , 1999 .

[76]  David A. Case,et al.  Density-Functional Theory of Spin Polarization and Spin Coupling in Iron—Sulfur Clusters , 1992 .

[77]  E. Bill,et al.  Iron-containing proteins and related analogs — complementary Mössbauer, EPR and magnetic susceptibility studies , 1991 .

[78]  D. Rehm,et al.  Kinetics of Fluorescence Quenching by Electron and H‐Atom Transfer , 1970 .

[79]  R. Kubo.  The fluctuation-dissipation theorem , 1966 .