Explorando o potencial de poda dos átomos de hidrogênio no problema do loop fechado

Version 1.1
Marques, Rômulo da Silva; Souza, Michael Ferreira de; Lavor, Carlile Campos, 2026, "Explorando o potencial de poda dos átomos de hidrogênio no problema do loop fechado", https://doi.org/10.25824/redu/GITU4G, Repositório de Dados de Pesquisa da Unicamp , V1
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Description
Os códigos disponibilizados pelos autores no GitHub contemplam os arquivos das instâncias de estruturas tridimensionais de proteínas baixados do PDB (Protein Data Bank) e na adaptação, em Python, do resolvedor Intervalar Branch-and-Prune (iBP) para os casos de loops de proteínas acrescidos de átomos de hidrogênios. Os resultados computacionais completos utilizados neste artigo também estão disponíveis nas pastas cujos nomes iniciam com "tests_". (2026-01-02)
Subject Computer and Information Science; Mathematical Sciences
Keyword Geometria de distâncias, Estrutura tridimensional de proteína, Loop de proteína, Loop closure problem, Hidrogênio, Branch-and-prune
Related Publication Marques, Rômulo S. Modelagem de Loops de Proteínas e Abordagens Probabilísticas para o Problema de Geometria de Distâncias. 2026. Tese de Doutorado em Matemática Aplicada. Universidade Estadual de Campinas (Unicamp)
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