Integrative chromosome‐scale genome analysis of cupuassu provides insights into witches' broom disease resistance and expands genomic resources for Theobroma [PDF]
The Plant GenomeCupuassu (Theobroma grandiflorum) is a fruit tree native to the Brazilian Amazon and increasingly relevant to regional bioeconomies. Its cultivation is severely affected by witches’ broom disease (WBD), caused by Moniliophthora perniciosa.
Vinicius A. C. deAbreu +8 more
doaj +3 more sources
Choose Your Level Wisely: Assessing Density Functionals and Dispersion Corrections for Metal Carbonyl Compounds. [PDF]
J Comput ChemEvaluation of 54 functional/dispersion approaches for Mn(I) and Re(I) carbonyls shows that meta‐GGA and hybrid meta‐GGA functionals, particularly TPSSh(D3zero) and r2SCAN(D3BJ/D4), achieve the best balance of accuracy and efficiency, reproducing geometries, CO stretching frequencies, and energetics consistent with DLPNO‐CCSD(T).
Glitz V +4 more
europepmc +2 more sources
Metagenomic Approaches to Analyze Antimicrobial Resistance: An Overview
Frontiers in Genetics, 2021 Antimicrobial resistance is a major global public health problem, which develops when pathogens acquire antimicrobial resistance genes (ARGs), primarily through genetic recombination between commensal and pathogenic microbes.
Vinicius A. C. de Abreu +2 more
doaj +1 more source
Redução do tempo de execução de métodos numéricos utilizando GNU/OCTAVE e GPGPU
Vetor, 2010 No presente trabalho é apresentada uma proposta para solução do problema da diminuição do tempo de execução de scripts Octave, de forma transparente ao usuário programador. Nesta utilizamos computação em GPU com placas gráficas NVIDIA e o toolkit CUDA, a
André Luis Tibola +1 more
doaj +4 more sources
DETECÇÃO DE FALHAS ESTRUTURAIS EM UM PORTICO METÁLICO UTILIZANDO A COMPUTAÇÃO INTELIGENTE
Colloquium Exactarum, 2020 O pórtico metálico, é uma das principais composições estruturais de postos de combustíveis, pontes e aranha céus. Todavia, tais estruturas apresentam vulnerabilidade as solicitações ambientais, temporais e antropológicas, gerando desgastes que podem ...
Thiago Carreta Moro +3 more
doaj +2 more sources
Nonlinear Dynamics and Chaos of a Nonsmooth Rotor‐Stator System
Mathematical Problems in Engineering, Volume 2017, Issue 1, 2017., 2017 Rotor systems have wide applications in industries, including aero engines, turbo generators, and gas turbines. Critical behaviors promoted by the system unbalance and the contact between rotor and stator lead to important nonlinearities on system dynamics.
André Brandão +4 more
wiley +1 more source
Understanding Oxide Surface Stability: Theoretical Insights From Silver Chromate
Advanced Physics Research, Volume 5, Issue 4, April 2026.Seven low‐index Miller surfaces, comprising 46 distinct terminations, were systematically investigated to determine their surface free energies as functions of the chemical potentials of the system constituents. The competition among these terminations gives rise to temperature‐dependent stability crossovers that dynamically reshape the surface energy ...
A. Facundes +3 more
wiley +1 more source
PubvetO desvio à esquerda é caracterizado pelo aumento de neutrófilos imaturos (bastonetes) na circulação sanguínea, indicando uma resposta medular a processos infecciosos ou inflamatórios agudos.
Luan Carlos Verteiro Pereira +1 more
doaj +1 more source
Good Practices in Database Generation for Benchmarking Density Functional Theory
WIREs Computational Molecular Science, Volume 15, Issue 1, January/February 2025.Advancements in DFT over the past three decades have been driven by extensive benchmarking studies. This review outlines best practices in database generation, offering guidance on key methodological aspects, including reference value quality, dataset size, reference geometries, basis sets, statistical analysis, and the electronic availability of data.
Amir Karton, Marcelo T. de Oliveira
wiley +1 more source
Comparative molecular dynamics of two cyclic peptide inhibitors bound to the Zika virus NS2B/NS3 protease. [PDF]
J Mol ModelMarinho CVS, de Oliveira MVD, Lima AH.
europepmc +1 more source