Parallel continuation-based global optimization for molecular conformation and protein folding
Cornell Theory Center, Advanced Computing Research Institute, 1994 - Science - 22 pages
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Advanced Computing Research Aiping Liao algorithms and software approach to global atoms class of gradually class of nonlinear Computer Science Computing Research Institute conformation and protein conformation problems Continuation-Based Global Optimization Cornell Cornell University deterministic local tracing different solution tracing Distributed Memory distribution function p(x effective energy simulated energy levels energy simulated annealing Euler-Newton exploited Figure Fourier transformation function variation Gaussian distribution function global minimization problem global optimization method high frequency components implemented initial value problem linear algebra Mflops molecular conformation multiprocessors nonlinear function nonlinear partially separable number of processors numerical continuation objective function Optimal Control optimization procedure pairwise parallel algorithms Parallel Continuation-Based Global parameter partially separable functions problem sizes protein folding problem random search procedure simulated annealing method smooth solution curve solution tracing procedure solutions back solve technique theorem Theory Center Thomas F tion trace the solutions tracing solutions transform the function transformed functions successively Trust Region Zhijun Wu