RESUMO

The Discretizable Molecular Distance Geometry Problem (DMDGP) plays a key role in the construction of three-dimensional molecular structures from interatomic distances acquired through nuclear magnetic resonance (NMR) spectroscopy, with the primary objective of validating a sequence of distance constraints related to NMR data. This article addresses the escalating complexity of the DMDGP encountered with larger and more flexible molecules by introducing a novel strategy via the Molecular Ordered Covering Problem, which optimizes the ordering of distance constraints to improve computational efficiency in DMDGP resolution. This approach utilizes a specialized Branch-and-Bound (BB) algorithm, tested on both synthetic and actual protein structures from the protein data bank. Our analysis demonstrates the efficacy of the previously proposed greedy heuristic in managing complex molecular scenarios, highlighting the BB algorithm's utility as a validation mechanism. This research contributes to ongoing efforts in molecular structure analysis, with possible implications for areas such as protein folding, drug design, and molecular modeling.

RESUMO

O objetivo deste artigo foi expor a atual conjuntura da geração de resíduos em Belo Horizonte de forma a apresentar as principais características dos resíduos de construção civil (RCC) acerca de sua tipologia, origem, predominância em sua composição, além de dados a respeito das obras que o geraram, como seu padrão construtivo e tipo de edificação. Os resultados demonstraram que a maior parte dos rejeitos gerados na capital é de base cerâmica, oriundos de obras de reformas residenciais de casas, classificadas em padrão normal de acabamento, localizadas, sobretudo, nas regionais Centro-sul e Pampulha. Pela determinação destas características foi possível estabelecer recomendações aplicáveis tanto às usinas de reciclagem como ao sistema de gerenciamento de resíduos da capital como forma de minimizar as causas da variabilidade dos agregados reciclados gerados a partir dos RCC.

The aim of this article was to expose the current state of affairs regarding the generation of waste in Belo Horizonte so as to present the main characteristics of construction civil waste (CCW) involving their typology, origin, predominance in their composition, as well as data about the construction sites that generated them, their construction pattern and type of building. The results show that the majority of the waste generated in Belo Horizonte is of ceramic base, deriving from house renovations construction sites classified as normal finishing standard located mainly in the center south and Pampulha areas. By determining these characteristics it was possible to establish recommendations applicable to the recycling plants as well as to the waste management system in Belo Horizonte to minimize the causes of the variability of the recycled aggregates generated from construction civil waste.