EFFICIENT MONTE-CARLO METHODS FOR THE COMPUTER-SIMULATION OF BIOLOGICAL MOLECULES
EFFICIENT MONTE-CARLO METHODS FOR THE COMPUTER-SIMULATION OF BIOLOGICAL MOLECULES
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DOI：
10.1103/physreva.45.8894
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发表时间：
1992-06-15
影响因子：
2.9
通讯作者：
SWENDSEN, RH
中科院分区：
文献类型：
--
作者：
BOUZIDA, D;KUMAR, S;SWENDSEN, RH
我们提出了一种替代方法，有效的Monte Carlo模拟生物分子。通过放松通常的限制马尔可夫过程，我们能够优化性能，同时直接处理这些系统中固有的不均匀性和各向异性。这种方法使我们能够更有效地采样配置空间比标准的蒙特卡罗或分子动力学方法。
We present an alternative approach to efficient Monte Carlo simulations of biological molecules. By relaxing the usual restriction to Markov processes, we are able to optimize performance while dealing directly with the inhomogeneity and anisotropy inherent in these systems. This approach allows us to sample configurational space more efficiently than with either standard Monte Carlo or molecular-dynamics methods.