Efficiently sampling conformations and pathways using the concurrent adaptive sampling (CAS) algorithm
نویسندگان
چکیده
منابع مشابه
Sampling protein conformations and pathways
Protein flexibility and rigidity can be analyzed using constraint theory, which views proteins as 3D networks of constraints involving covalent bonds and also including hydrophobic interactions and hydrogen bonds. This article describes an algorithm, ROCK (Rigidity Optimized Conformational Kinetics), which generates new conformations for these complex networks with many interlocked rings while ...
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Monte Carlo simulation (MCS) is a useful tool for computation of probability of failure in reliability analysis. However, the large number of samples, often required for acceptable accuracy, makes it time-consuming. Importance sampling is a method on the basis of MCS which has been proposed to reduce the computational time of MCS. In this paper, a new adaptive importance sampling-based algorith...
متن کاملApplication of adaptive sampling in fishery part 1: Adaptive cluster sampling and its strip designs
Abstract: The precision of conventional sampling designs is not usually satisfactory for estimating parameters of clump and rare populations. Many of fish species live in school and disperse all over a vast area like a sea so that they are rare compare to their habitats. Theory of a class of sampling designs called adaptive sampling designs has rapidly grown during last decade which solved the...
متن کاملApplication of adaptive sampling in fishery part 2: Truncated adaptive cluster sampling designs
There are some experiences that researcher come across quite number of time for very large networks in the initial samples such that they cannot finish the sampling procedure. Two solutions have been proposed and used by marine biologists which we discuss in this article: i) Adaptive cluster sampling based on order statistics with a stopping rule, ii) Restricted adaptive cluster sampling. Until...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2017
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4999097