2979 search results - page 314 / 596 » Computation and the Periodic Table |
168
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JCC
2008
15 years 6 months ago
2008
: We introduce PULCHRA, a fast and robust method for the reconstruction of full-atom protein models starting from a reduced protein representation. The algorithm is particularly su...
147
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INFORMATICALT
2006
15 years 6 months ago
2006
Abstract. The paper addresses the problem of discrimination of homographs when a lengthy segment of an uttered word is missing. The considered discrimination procedure is done by r...
188
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ET
2007
15 years 6 months ago
2007
The computational paradigm known as quantum-dot cellular automata (QCA) encodes binary information in the charge configuration of Coulomb-coupled quantum-dot cells. Functioning QC...
168
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JCC
2007
15 years 6 months ago
2007
: This essay provides a perspective on several issues in valence bond theory: the physical significance of semilocal bonding orbitals, the capability of valence bond concepts to e...
149
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JCC
2007
15 years 6 months ago
2007
Abstract: A novel self-organizing algorithm for conformational sampling is introduced, in which precomputed conformations of rigid fragments are used as templates to enforce the de...