Molecular dynamics simulations of ribonuclease T1: Comparison of the free enzyme and 2′ GMP–enzyme complex
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Alexander D. MacKerell | U Heinemann | L. Nilsson | U. Heinemann | W. Saenger | R. Rigler | A D MacKerell | R Rigler | L Nilsson | W Saenger
[1] T. Uchida,et al. 9 Microbial Ribonucleases with Special Reference to RNases T1, T2, N1, and U2 , 1971 .
[2] W. Bennett,et al. Structural and functional aspects of domain motions in proteins. , 1984, CRC critical reviews in biochemistry.
[3] Alexander D. MacKerell,et al. Molecular dynamics simulations of ribonuclease T1: analysis of the effect of solvent on the structure, fluctuations, and active site of the free enzyme. , 1988, Biochemistry.
[4] W. F. van Gunsteren,et al. Effect of constraints on the dynamics of macromolecules , 1982 .
[5] M. Karplus,et al. Fluorescence depolarization of tryptophan residues in proteins: a molecular dynamics study. , 1983, Biochemistry.
[6] T. Oshima,et al. Specific interaction of base-specific nucleases with nucleosides and nucleotides. , 1980, Molecular biology, biochemistry, and biophysics.
[7] W. Saenger,et al. Three‐dimensional structure of the ribonuclease t1 · 3'‐guanylic acid complex at 2.6 Å resolution , 1985, FEBS letters.
[8] U Heinemann,et al. Three-dimensional structure of the ribonuclease T1 2'-GMP complex at 1.9-A resolution. , 1988, The Journal of biological chemistry.
[9] A. Warshel,et al. Calculations of electrostatic interactions in biological systems and in solutions , 1984, Quarterly Reviews of Biophysics.
[10] O. Tapia,et al. Molecular dynamics simulations of the holo and apo forms of retinol binding protein. Structural and dynamical changes induced by retinol removal. , 1986, Journal of molecular biology.
[11] M. Karplus,et al. Molecular dynamics simulations of native and substrate-bound lysozyme. A study of the average structures and atomic fluctuations. , 1986, Journal of molecular biology.
[12] Arieh Warshel,et al. Calculations of chemical processes in solutions , 1979 .
[13] W. L. Jorgensen,et al. Comparison of simple potential functions for simulating liquid water , 1983 .
[14] S. Forsén,et al. Molecular Dynamics Simulation of Parvalbumin in Aqueous Solution , 1987 .
[15] O. Pongs,et al. On the mechanism of action of ribonuclease T1. Nuclear magnetic resonance study on the active site. , 1971, European journal of biochemistry.
[16] H. Matsuo,et al. Proton and phosphorus nuclear magnetic resonance studies of ribonuclease T1. , 1979, Biochemistry.
[17] M. Karplus,et al. Stochastic boundary conditions for molecular dynamics simulations of ST2 water , 1984 .
[18] S. Adelman. Generalized Langevin theory for many‐body problems in chemical dynamics: Reactions in liquids , 1980 .
[19] G. Ciccotti,et al. Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes , 1977 .
[20] M. Karplus,et al. Deformable stochastic boundaries in molecular dynamics , 1983 .
[21] J. A. McCammon,et al. REVIEW ARTICLE: Protein dynamics , 1984 .
[22] H. J. Kim,et al. Two histidine residues are essential for ribonuclease T1 activity as is the case for ribonuclease A. , 1987, Biochemistry.
[23] A. Warshel. Dynamics of enzymatic reactions. , 1984, Proceedings of the National Academy of Sciences of the United States of America.
[24] M. Karplus,et al. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations , 1983 .
[25] Alexander D. MacKerell,et al. Protein dynamics. A time-resolved fluorescence, energetic and molecular dynamics study of ribonuclease T1. , 1987, Biophysical chemistry.
[26] Udo Heinemann,et al. Restrained least‐squares refinement of the crystal structure of the ribonuclease T1*2'‐guanylic acid complex at 1·9 Å resolution , 1987 .
[27] M Karplus,et al. Interdomain motion in liver alcohol dehydrogenase. Structural and energetic analysis of the hinge bending mode. , 1979, The Journal of biological chemistry.
[28] M Karplus,et al. The internal dynamics of globular proteins. , 1981, CRC critical reviews in biochemistry.
[29] U. Heinemann,et al. Specific protein-nucleic acid recognition in ribonuclease T1–2′-guanylic acid complex: an X-ray study , 1982, Nature.
[30] U. Heinemann,et al. pH‐induced change in nucleotide binding geometry in the ribonuclease T1‐2'‐guanylic acid complex , 1985 .
[31] M Karplus,et al. Effect of anisotropy and anharmonicity on protein crystallographic refinement. An evaluation by molecular dynamics. , 1986, Journal of molecular biology.
[32] J. Mccammon,et al. Molecular dynamics with stochastic boundary conditions , 1982 .