We explored the use of several breadth-first and depth-firstalgorithms for the computation of Gaussian atomic and molecular surface areas. Our results for whole-molecule van der Waals surface areas (vdWSAs) were 10 t...
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We explored the use of several breadth-first and depth-firstalgorithms for the computation of Gaussian atomic and molecular surface areas. Our results for whole-molecule van der Waals surface areas (vdWSAs) were 10 times more accurate in relative error, relative to actual hard-sphere areas, than those reported by earlier workers. We were also able to extend the method to the computation of solvent-accessible surface areas (SASAs). This was made possible by an appropriate combination of algorithms, parameters, and preprocessing steps. For united-atom 30app, a 2366-atom protein, we obtained an average absolute atomic error of 1.16 Angstrom(2). With respect to the hard-sphere atomic SASA results in 7 s of CPU time on an R10000/194 MHz processor. Speed and accuracy were both optimized for SASA by the use of neighbor-list reduction (NLR), buried-atom elimination (BAE), and a depth-first search of the tree of atomic intersections. Accuracy was further optimized by the application of atom type specific parameters to the raw Gaussian results. (C) 1999 John Wiley & Sons, Inc. J Comput Chem 20: 688-703, 1999.
This paper presents a new phasor measurement unit (PMU) placement algorithm based on Hierarchical Analysis, a hybrid algorithm combining the breadth-first algorithm (BFA) and greedy algorithm. With the optimized numbe...
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ISBN:
(纸本)9781921897078
This paper presents a new phasor measurement unit (PMU) placement algorithm based on Hierarchical Analysis, a hybrid algorithm combining the breadth-first algorithm (BFA) and greedy algorithm. With the optimized number of PMU, the system is to maintain full network view during normal operation with and without conventional zero-injection effect. The IEEE standard 14-, 30-, 57-and the New England 39-bus test systems are investigated. Based on the comparison of the proposed method in this paper with other published methods, the proposed method has achieve good results with minimal PMU required and maximum system observability redundancy index (SORI).
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