Heuristic decomposition of cones in molecular conformational space

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dc.creatorGabarro-Arpa, Jacques
dc.date2007-10-12
dc.date.accessioned2026-07-07T08:36:02Z
dc.date.available2026-07-07T08:36:02Z
dc.descriptionIn a previous work arXiv:physics/0611108v2, it was shown that the volume spanned by a molecular system in its conformational space can be effectively bounded by a polyhedral cone, this cone is described by means of a simple combinatorial formula. On the other hand it was constructed a transversal graph structure encoding the region of conformational space accessible to the system. From the information in this graph, it is possible to decompose the main cone into a hierarchy of smaller ones that are more manageable, and are progressively more tightly bound to the region in which the system evolves.
dc.identifierhttps://arxiv.org/abs/0710.2529
dc.identifierhttp://arxiv.org/abs/0710.2529
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/139937
dc.subjectComputational Physics
dc.titleHeuristic decomposition of cones in molecular conformational space
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