Protein–protein interactions in actin–myosin binding and structural effects of R405Q mutation: A molecular dynamics study
暂无分享,去创建一个
Wonpil Im | W. Im | Yuemin Liu | H. Woo | Hyung-June Woo | Yuemin Liu | Megan Scolari | Megan Scolari
[1] C A Smith,et al. X-ray structure of the magnesium(II).ADP.vanadate complex of the Dictyostelium discoideum myosin motor domain to 1.9 A resolution. , 1996, Biochemistry.
[2] Angel E. Garcia,et al. Faculty Opinions recommendation of Can a continuum solvent model reproduce the free energy landscape of a beta -hairpin folding in water? , 2002 .
[3] B. Berne,et al. Can a continuum solvent model reproduce the free energy landscape of a β-hairpin folding in water? , 2002, Proceedings of the National Academy of Sciences of the United States of America.
[4] Tomoyuki Minami,et al. Molecular dynamics simulations of evolved collective motions of atoms in the myosin motor domain upon perturbation of the ATPase pocket. , 2005, Biophysical chemistry.
[5] Kenneth C Holmes,et al. The molecular mechanism of muscle contraction. , 2005, Advances in protein chemistry.
[6] R. Zhou. Free energy landscape of protein folding in water: Explicit vs. implicit solvent , 2003, Proteins.
[7] M. Sanner,et al. Reduced surface: an efficient way to compute molecular surfaces. , 1996, Biopolymers.
[8] D A Winkelmann,et al. Three-dimensional structure of myosin subfragment-1: a molecular motor. , 1993, Science.
[9] M. Dalakas,et al. Missense mutations in the beta-myosin heavy-chain gene cause central core disease in hypertrophic cardiomyopathy. , 1993, Proceedings of the National Academy of Sciences of the United States of America.
[10] P. Kollman,et al. Combined molecular mechanical and continuum solvent approach (MM-PBSA/GBSA) to predict ligand binding , 2000 .
[11] R A Milligan,et al. Protein-protein interactions in the rigor actomyosin complex. , 1996, Proceedings of the National Academy of Sciences of the United States of America.
[12] H. Sweeney,et al. Two Conserved Lysines at the 50/20-kDa Junction of Myosin Are Necessary for Triggering Actin Activation* , 2001, The Journal of Biological Chemistry.
[13] M. Karplus,et al. A Comprehensive Analytical Treatment of Continuum Electrostatics , 1996 .
[14] H. C. Andersen. Molecular dynamics simulations at constant pressure and/or temperature , 1980 .
[15] N. Guex,et al. SWISS‐MODEL and the Swiss‐Pdb Viewer: An environment for comparative protein modeling , 1997, Electrophoresis.
[16] D. Beglov,et al. Atomic Radii for Continuum Electrostatics Calculations Based on Molecular Dynamics Free Energy Simulations , 1997 .
[17] C. Cohen,et al. Crystallographic findings on the internally uncoupled and near-rigor states of myosin: Further insights into the mechanics of the motor , 2002, Proceedings of the National Academy of Sciences of the United States of America.
[18] Wenjun Zheng,et al. Identification of dynamical correlations within the myosin motor domain by the normal mode analysis of an elastic network model. , 2005, Journal of molecular biology.
[19] D. Manstein,et al. Modulation of actin affinity and actomyosin adenosine triphosphatase by charge changes in the myosin motor domain. , 1998, Biochemistry.
[20] B. Brooks,et al. Probing the local dynamics of nucleotide-binding pocket coupled to the global dynamics: myosin versus kinesin. , 2005, Biophysical journal.
[21] Roberto Dominguez,et al. Crystal Structure of a Vertebrate Smooth Muscle Myosin Motor Domain and Its Complex with the Essential Light Chain Visualization of the Pre–Power Stroke State , 1998, Cell.
[22] Robert L Jernigan,et al. Myosin flexibility: Structural domains and collective vibrations , 2004, Proteins.
[23] L. Leinwand,et al. Heterologous expression of a cardiomyopathic myosin that is defective in its actin interaction. , 1994, The Journal of biological chemistry.
[24] L. Leinwand,et al. Functional analysis of myosin mutations that cause familial hypertrophic cardiomyopathy. , 1998, Biophysical journal.
[25] W. C. Still,et al. Semianalytical treatment of solvation for molecular mechanics and dynamics , 1990 .
[26] S. Nosé,et al. Constant pressure molecular dynamics for molecular systems , 1983 .
[27] Charles L. Brooks,et al. Generalized born model with a simple smoothing function , 2003, J. Comput. Chem..
[28] E P Morris,et al. The structure of the acto-myosin subfragment 1 complex: results of searches using data from electron microscopy and x-ray crystallography. , 1997, Proceedings of the National Academy of Sciences of the United States of America.
[29] M. Gilson,et al. Strength of Solvent-Exposed Salt-Bridges† , 1999 .
[30] M. Tyska,et al. Functional consequences of mutations in the smooth muscle myosin heavy chain at sites implicated in familial hypertrophic cardiomyopathy. , 2000, The Journal of biological chemistry.
[31] I. Rayment,et al. X-ray structures of the MgADP, MgATPgammaS, and MgAMPPNP complexes of the Dictyostelium discoideum myosin motor domain. , 1997, Biochemistry.
[32] Sebastian Doniach,et al. A comparative study of motor-protein motions by using a simple elastic-network model , 2003, Proceedings of the National Academy of Sciences of the United States of America.
[33] R A Milligan,et al. Structure of the actin-myosin complex and its implications for muscle contraction. , 1993, Science.
[34] H. Sweeney,et al. Myosin motors: missing structures and hidden springs. , 2001, Current opinion in structural biology.
[35] J. Seidman,et al. A molecular basis for familial hypertrophic cardiomyopathy: A β cardiac myosin heavy chain gene missense mutation , 1990, Cell.
[36] K. Yamamoto. Shift of binding site at the interface between actin and myosin. , 1990, Biochemistry.
[37] T. Burghardt,et al. The Myosin Cardiac Loop Participates Functionally in the Actomyosin Interaction* , 2004, Journal of Biological Chemistry.
[38] A. Houdusse,et al. Three conformational states of scallop myosin S1. , 2000, Proceedings of the National Academy of Sciences of the United States of America.
[39] T. Darden,et al. Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems , 1993 .
[40] C. Brooks,et al. An implicit membrane generalized born theory for the study of structure, stability, and interactions of membrane proteins. , 2003, Biophysical journal.
[41] Ivan Rayment,et al. Three-dimensional atomic model of F-actin decorated with Dictyostelium myosin S1 , 1993, Nature.
[42] D. Case,et al. Generalized born models of macromolecular solvation effects. , 2000, Annual review of physical chemistry.
[43] Rasmus R. Schröder,et al. Electron cryo-microscopy shows how strong binding of myosin to actin releases nucleotide , 2003, Nature.
[44] C. Cohen,et al. Crystal structure of scallop Myosin s1 in the pre-power stroke state to 2.6 a resolution: flexibility and function in the head. , 2003, Structure.
[45] Richard A. Friesner,et al. First-Shell Solvation of Ion Pairs: Correction of Systematic Errors in Implicit Solvent Models† , 2004 .
[46] Qiang Cui,et al. Mechanochemical coupling in myosin: A theoretical analysis with molecular dynamics and combined QM/MM reaction path calculations , 2004 .
[47] W. Kabsch,et al. Dictionary of protein secondary structure: Pattern recognition of hydrogen‐bonded and geometrical features , 1983, Biopolymers.
[48] H. Berendsen,et al. ALGORITHMS FOR MACROMOLECULAR DYNAMICS AND CONSTRAINT DYNAMICS , 1977 .
[49] Richard H. Henchman,et al. Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy. , 2004, Biophysical journal.
[50] K C Holmes,et al. Structural mechanism of muscle contraction. , 1999, Annual review of biochemistry.
[51] James A. Spudich,et al. The myosin swinging cross-bridge model , 2001, Nature Reviews Molecular Cell Biology.
[52] N. Alpert,et al. Molecular mechanics of mouse cardiac myosin isoforms. , 2002, American journal of physiology. Heart and circulatory physiology.
[53] Alexander D. MacKerell,et al. All-atom empirical potential for molecular modeling and dynamics studies of proteins. , 1998, The journal of physical chemistry. B.
[54] M. Karplus,et al. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations , 1983 .
[55] P. Kollman,et al. A classical and ab initio study of the interaction of the myosin triphosphate binding domain with ATP. , 2002, Biophysical journal.
[56] A. Houdusse,et al. Atomic Structure of Scallop Myosin Subfragment S1 Complexed with MgADP A Novel Conformation of the Myosin Head , 1999, Cell.
[57] R. Vale,et al. The way things move: looking under the hood of molecular motor proteins. , 2000, Science.
[58] I. Schlichting,et al. Structure of the regulatory domain of scallop myosin at 2.8 Ä resolution , 1994, Nature.
[59] I. Rayment,et al. Molecular dynamics analysis of structural factors influencing back door pi release in myosin. , 2004, Biophysical journal.
[60] Stefan Fischer,et al. Structural mechanism of the recovery stroke in the myosin molecular motor. , 2005, Proceedings of the National Academy of Sciences of the United States of America.
[61] Qiang Cui,et al. Analysis of functional motions in Brownian molecular machines with an efficient block normal mode approach: myosin-II and Ca2+ -ATPase. , 2004, Biophysical journal.
[62] K C Holmes,et al. The structure of the rigor complex and its implications for the power stroke. , 2004, Philosophical transactions of the Royal Society of London. Series B, Biological sciences.
[63] Hoover,et al. Canonical dynamics: Equilibrium phase-space distributions. , 1985, Physical review. A, General physics.
[64] Carl A. Morris,et al. A structural state of the myosin V motor without bound nucleotide , 2003, Nature.
[65] Milestone in Physiology The Sliding Filament Model : 1972 – 2004 , 2004 .
[66] W. Im,et al. Optimized atomic radii for protein continuum electrostatics solvation forces. , 1999, Biophysical chemistry.