A Linear-Time Algorithm for Solving the Molecular Distance Geometry Problem with Exact Inter-Atomic Distances

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dc.contributor.authorDong, Qunfengen_US
dc.contributor.authorWu, Zhijunen_US
dc.date.accessioned2018-06-18T17:48:43Zen_US
dc.date.available2018-06-18T17:48:43Zen_US
dc.date.issued2001-06en_US
dc.date.noteJune 2001en_US
dc.description.abstractWe describe a linear-time algorithm for solving the molecular distance geometry problem with exact distances between all pairs of atoms. This problem needs to be solved in every iteration of general distance geometry algorithms for protein modeling such as the EMBED algorithm by Crippen and Havel. However, previous approaches to the problem rely on decomposing a distance matrix or minimizing an error function and require O(n2) to O(n3) floating point operations. The linear-time algorithm will provide a much more efficient approach to the problem, especially in large-scale applications. It exploits the problem structure and hence is able to identify infeasible data more easily as well.en_US
dc.format.extent13 ppen_US
dc.identifier.citationDong, Qunfeng and Wu, Zhijun. "A Linear-Time Algorithm for Solving the Molecular Distance Geometry Problem with Exact Inter-Atomic Distances." (2001) <a href="https://hdl.handle.net/1911/101975">https://hdl.handle.net/1911/101975</a>.en_US
dc.identifier.digitalTR01-13en_US
dc.identifier.urihttps://hdl.handle.net/1911/101975en_US
dc.language.isoengen_US
dc.titleA Linear-Time Algorithm for Solving the Molecular Distance Geometry Problem with Exact Inter-Atomic Distancesen_US
dc.typeTechnical reporten_US
dc.type.dcmiTexten_US
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