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Abstract: The determination of a stable molecular structure can often be formulated in terms of calculating the global (or approximate global) minimum of a potential energy function. Computing the global minimum of this function is very difficult because it typically has a very large number of local minima which may grow exponentially with molecule size. The optimization method presented involves collecting a large number of conformers, each attained by finding a local minimum of the potential energy... (Update)
Context of citations to this paper: More
...task. Small number of tasks. Distributed parallel applications generally consist of a 17 small number of tasks [CS95, DS95, DTMH96, PRW94, MMFM93, WK93, YB95] The size of individual tasks vary from application to application. Modular Implementation. Many distributed parallel...
.... applications are composed of a few coarse grained tasks and execute on heterogeneous platforms composed of 2 or 3 machines [28, 38, 44, 49]. These platforms are formed by smart instruments and machines which can be SIMD MPPs, MIMD MPPs, vector computers, and or...
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BibTeX entry: (Update)
A. T. Phillips, J. B. Rosen and V. H. Walke, Molecular structure determination by convex global underestimation of local energy minima, In DIMACS Series in Discrete Mathematics and Theoretical Computer Science, 23, Amer. Math. Soc., (1996), 181-198. http://citeseer.ist.psu.edu/phillips96molecular.html More
@misc{ phillips96molecular,
author = "A. Phillips and J. Rosen and V. Walke",
title = "Molecular structure determination by convex global underestimation of local
energy minima",
text = "A. T. Phillips, J. B. Rosen and V. H. Walke, Molecular structure determination
by convex global underestimation of local energy minima, In DIMACS Series
in Discrete Mathematics and Theoretical Computer Science, 23, Amer. Math.
Soc., (1996), 181-198.",
year = "1996",
url = "citeseer.ist.psu.edu/phillips96molecular.html" }
Citations (may not include all citations):191 The Rapid Evaluation of Potential Fields in Particle Systems (context) - Greengard - 1988
32 Dominant Forces in Protein Folding (context) - Dill - 1990
5 Computer Simulations of Protein Dynamics and Thermodynamics (context) - Case - 1993 ACM DBLP
4 Towards Protein Folding by Global Energy Optimization (context) - Abagyan - 1993
2 Predicting the Conformation of Proteins: Man versus Machine (context) - Benner, Gerloff - 1993
2 Conformational Searches for the Global Minimum of Protein Mo.. (context) - Ferguson, Marsh et al. - 1994
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