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Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
Article
Article
Garrett M. Morris; David S. Goodsell; Robert S. Halliday; Ruth Huey; William E. Hart; Richard K. Belew; Arthur J. Olson · Journal of Computational Chemistry · 1998
A novel and robust automated docking method that predicts the bound conformations of flexible ligands to macromolecular targets has been developed and tested, in combination with a new scoring function that estimates the...
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El enlace apunta a material asociado, anexos, tablas, datos o página complementaria. No se marca como libro/texto completo.
Material complementario
General Methods for Monitoring Convergence of Iterative Simulations
Article
Article
Stephen P. Brooks; Andrew Gelman · Journal of Computational and Graphical Statistics · 1998
Abstract We generalize the method proposed by Gelman and Rubin (1992a) for monitoring the convergence of iterative simulations by comparing between and within variances of multiple chains, in order to obtain a family of ...
Idioma English
El enlace apunta a material asociado, anexos, tablas, datos o página complementaria. No se marca como libro/texto completo.
Material complementario
A Fast and High Quality Multilevel Scheme for Partitioning Irregular Graphs
Article
Article
George Karypis; Vipin Kumar · SIAM Journal on Scientific Computing · 1998
Recently, a number of researchers have investigated a class of graph partitioning algorithms that reduce the size of the graph by collapsing vertices and edges, partition the smaller graph, and then uncoarsen it to const...
Idioma English
El enlace apunta a material asociado, anexos, tablas, datos o página complementaria. No se marca como libro/texto completo.
Material complementario
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