Molecular simulation evidence for processive motion of Trichoderma reesei Cel7A during cellulose depolymerization
暂无分享,去创建一个
Clare McCabe | Michael E. Himmel | Xiongce Zhao | William S. Adney | M. Himmel | C. McCabe | W. Adney | Tauna R. Rignall | Xiongce Zhao
[1] K Schulten,et al. VMD: visual molecular dynamics. , 1996, Journal of molecular graphics.
[2] Alexander D. MacKerell,et al. Development and current status of the CHARMM force field for nucleic acids , 2000, Biopolymers.
[3] W. V. Steele,et al. Vapor Pressure, Heat Capacity, and Density along the Saturation Line: Measurements for Benzenamine, Butylbenzene, sec-Butylbenzene, tert-Butylbenzene, 2,2-Dimethylbutanoic Acid, Tridecafluoroheptanoic Acid, 2-Butyl-2-ethyl-1,3-propanediol, 2,2,4-Trimethyl-1,3-pentanediol, and 1-Chloro-2-propanol , 2002 .
[4] W. L. Jorgensen. Quantum and statistical mechanical studies of liquids. 10. Transferable intermolecular potential functions for water, alcohols, and ethers. Application to liquid water , 2002 .
[5] Charlotte Schubert,et al. Can biofuels finally take center stage? , 2006, Nature Biotechnology.
[6] Giovanni Ciccotti,et al. Constrained molecular dynamics and the mean potential for an ion pair in a polar solvent , 1989 .
[7] G. Ciccotti,et al. Constrained reaction coordinate dynamics for the simulation of rare events , 1989 .
[8] Kevin J. Naidoo,et al. Carbohydrate solution simulations: Producing a force field with experimentally consistent primary alcohol rotational frequencies and populations , 2002, J. Comput. Chem..
[9] Charlotte K. Williams,et al. The Path Forward for Biofuels and Biomaterials , 2006, Science.
[10] T. A. Jones,et al. High-resolution crystal structures reveal how a cellulose chain is bound in the 50 A long tunnel of cellobiohydrolase I from Trichoderma reesei. , 1998, Journal of molecular biology.
[11] G. Ciccotti,et al. Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes , 1977 .
[12] F. Young. Biochemistry , 1955, The Indian Medical Gazette.
[13] M. Himmel,et al. Interactions of the complete cellobiohydrolase I from Trichodera reesei with microcrystalline cellulose Iβ , 2008 .
[14] Ericka Stricklin-Parker,et al. Ann , 2005 .
[15] Paul Langan,et al. Crystal structure and hydrogen-bonding system in cellulose Ibeta from synchrotron X-ray and neutron fiber diffraction. , 2002, Journal of the American Chemical Society.
[16] H. Berendsen,et al. Molecular dynamics with coupling to an external bath , 1984 .
[17] P. Kraulis,et al. Determination of the three-dimensional solution structure of the C-terminal domain of cellobiohydrolase I from Trichoderma reesei. A study using nuclear magnetic resonance and hybrid distance geometry-dynamical simulated annealing. , 1989, Biochemistry.
[18] David K. Johnson,et al. Biomass Recalcitrance: Engineering Plants and Enzymes for Biofuels Production , 2007, Science.
[19] P. Thibault,et al. Characterization of cellobiohydrolase I (Cel7A) glycoforms from extracts of Trichoderma reesei using capillary isoelectric focusing and electrospray mass spectrometry. , 2001, Journal of chromatography. B, Biomedical sciences and applications.
[20] M. Penttilä,et al. Role of the interdomain linker peptide of Trichoderma reesei cellobiohydrolase I in its interaction with crystalline cellulose. , 1993, The Journal of biological chemistry.
[21] S. Sukumaran,et al. Cellulose , 1924, Science.
[22] Michiel Sprik,et al. Free energy from constrained molecular dynamics , 1998 .
[23] G. Torrie,et al. Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling , 1977 .
[24] Bernard Henrissat,et al. Protein disorder: conformational distribution of the flexible linker in a chimeric double cellulase. , 2005, Biophysical journal.
[25] Laxmikant V. Kale,et al. NAMD2: Greater Scalability for Parallel Molecular Dynamics , 1999 .
[26] G. G. Stokes. "J." , 1890, The New Yale Book of Quotations.
[27] T. Reinikainen,et al. The three-dimensional crystal structure of the catalytic core of cellobiohydrolase I from Trichoderma reesei. , 1994, Science.
[28] M Mezei,et al. Free Energy Simulations a , 1986, Annals of the New York Academy of Sciences.
[29] Holger Gohlke,et al. The Amber biomolecular simulation programs , 2005, J. Comput. Chem..
[30] B. Henrissat,et al. Dimension, Shape, and Conformational Flexibility of a Two Domain Fungal Cellulase in Solution Probed by Small Angle X-ray Scattering* , 2002, The Journal of Biological Chemistry.