We examine substructure and mass segregation in the massive OB association Cygnus OB2 to better understand its initial conditions. Using a well understood Chandra X-ray selected sample of young stars we find that Cyg OB2 exhibits considerable physical substructure and has no evidence for mass segregation, both indications that the association is not dynamically evolved. Combined with previous k...

This paper describes a study of a simple open learner model that can be optionally released to peers in named or anonymous form, to facilitate collaborative and competitive learning in a situation where the learner model contents contributed to students' assessment. Results suggest that, under the right conditions, students may start working sooner; discussion amongst students can be increased;...

Most developed countries exhibit high rates of R&D performed in industry, but the situation is considerable different in medium income countries such as Portugal. Despite the lower levels of R&D, Portuguese firms have increased their competitiveness, and the country has been able to show remarkable levels of economic performance. This paper provides a framework to analyze the way in which R&D i...

Mining local structure is important in data analysis. Gaussian mixture is able to describe local structure through the covariance matrices, but when used on highdimensional data, fitly specifying such a large number of d(d + 1)=2 free elements in each covariance matrix is difficult. In this paper, by constraining the covariance matrix in decomposed orthonormal form, we propose a Local PCA algor...

Recent target validation studies have shown that inhibition of the protein interaction between annexin A2 and the S100A10 protein may have potential therapeutic benefits in cancer. Virtual screening identified certain 3,4,5-trisubstituted 4H-1,2,4-triazoles as moderately potent inhibitors of this interaction. A series of analogues were synthesized based on the 1,2,4-triazole scaffold and were e...

Recent target validation studies have shown that inhibition of the protein interaction between annexin A2 and the S100A10 protein may have potential therapeutic benefits in cancer. Virtual screening identified certain 3,4,5-trisubstituted 4H-1,2,4-triazoles as moderately potent inhibitors of this interaction. A series of analogues were synthesized based on the 1,2,4-triazole scaffold and were e...

LMO (LIM-only) and LIM-HD (LIM-homeodomain) proteins form a family of proteins that is required for myriad developmental processes and which can contribute to diseases such as T-cell leukaemia and breast cancer. The four LMO and 12 LIM-HD proteins in mammals are expressed in a combinatorial manner in many cell types, forming a transcriptional 'LIM code'. The proteins all contain a pair of close...

This paper presents the methods that have participated in SHREC 2022 contest on protein–ligand binding site recognition. The prediction of protein- ligand regions is an active research domain computational biophysics and structural biology plays a relevant role for molecular docking drug design. goal to assess effectiveness recognizing sites protein based its geometrical structure. Performances...

Available reports have confirmed a link between bacterial infection and the progression of different types cancers, including colon, lungs, prostate cancer. Here we report Chlamydia pneumonia proteins targeting in endoplasmic reticulum (ER) using in-silico approaches their possible role lung cancer etiology. We predicted 48 that target human ER, which may be associated with protein folding prot...