Local elevation: A method for improving the searching properties of molecular dynamics simulation
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[1] Horst Kessler,et al. Molecular dynamics simulations of cyclosporin A: The crystal structure and dynamic modelling of a structure in apolar solution based on NMR data , 1987, J. Comput. Aided Mol. Des..
[2] H. Berendsen,et al. A LEAP-FROG ALGORITHM FOR STOCHASTIC DYNAMICS , 1988 .
[3] Wilfred F. van Gunsteren,et al. Computer Simulation of Biomolecular Systems: Theoretical and Experimental Applications , 1989 .
[4] Timothy F. Havel,et al. The sampling properties of some distance geometry algorithms applied to unconstrained polypeptide chains: A study of 1830 independently computed conformations , 1990, Biopolymers.
[5] H A Scheraga,et al. An approach to the multiple-minima problem by relaxing dimensionality. , 1986, Proceedings of the National Academy of Sciences of the United States of America.
[6] Gordon M. Crippen,et al. Global energy minimization by rotational energy embedding , 1990, J. Chem. Inf. Comput. Sci..
[7] G. Crippen,et al. Linearized embedding: A new metric matrix algorithm for calculating molecular conformations subject to geometric constraints , 1989 .
[8] Roland L. Dunbrack,et al. Molecular dynamics simulation of the proline conformational equilibrium and dynamics in antamanide using the CHARMM force field , 1993 .
[9] Fred Glover,et al. Tabu Search - Part II , 1989, INFORMS J. Comput..
[10] Oleg Jardetzky,et al. Protein Structure and Engineering , 1989, NATO ASI Series.
[11] W F van Gunsteren,et al. A structure refinement method based on molecular dynamics in four spatial dimensions. , 1993, Journal of molecular biology.
[12] C. D. Gelatt,et al. Optimization by Simulated Annealing , 1983, Science.
[13] Wilfred F. van Gunsteren,et al. Conformational search by potential energy annealing: Algorithm and application to cyclosporin A , 1992, J. Comput. Aided Mol. Des..
[14] Garland R. Marshall,et al. THE GENERATION OF THREE-DIMENSIONAL STRUCfURES FROM NMR-DERIVED CONSTRAINTS , 1989 .
[15] G. Ciccotti,et al. Numerical Integration of the Cartesian Equations of Motion of a System with Constraints: Molecular Dynamics of n-Alkanes , 1977 .
[16] Gordon M. Crippen,et al. Conformational analysis by energy embedding , 1982 .