DrugTax

DrugTax


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DrugTax is our new Python package and scientific paper! By A.J.Preto, Paulo C. Correia and Irina S. Moreira, DrugTax is a chemoinformatics tool that focuses on comprehensible and fast small molecule characterization for analysis and explainable Machine Learning. It can be found and easily installed…

SynPred

SynPred


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SynPred, a novel Artificial Intelligence based tool to help unveil new drug combinations for cancer treatment has been published by GigaScience, of the Oxford Academic publishing group. By screening different cancer tissues, this tool helps uncover specific solutions that allow the usage of more adequate…

Enhanced neuronal differentiation by dynamic piezoelectric stimulation

Enhanced neuronal differentiation by dynamic piezoelectric stimulation


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A new work , “Enhanced neuronal differentiation by dynamic piezoelectric stimulation”, is now available here and features three researchers from MoreiraLab, Salete J. Baptista, R. Melo and Irina S. Moreira.

Biodata.pt

Biodata.pt


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Irina Moreira is now vice-president of  Biodata.pt  

Gromacs Workshop

Gromacs Workshop


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We are hosting the  online event: Gromacs Wokshop – a collaboration between BioExcel and national europhc competence center.

New Book!

New Book!


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Our new book “Computational Design of Membrane Proteins” is out!  

VIRHOSTAI - virus-host interactome project driven by AI approved

VIRHOSTAI – virus-host interactome project driven by AI approved


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Our project, VIRUSHOST AI, which has recently been approved, will make use of Artificial Intelligence to unveil virus-host interactome, under the scope of national funded COVID-19 projects, having been funded with 240.000 euros and 20.000 GPU hours. See the full news here: https://observador.pt/2020/11/05/cientistas-da-universidade-de-coimbra-usam-dados-e-inteligencia-artificial-para-combater-pandemia/. 

SPOTONE: Hot Spots on Protein Complexes with Extremely Randomized Trees via Sequence-Only Features

SPOTONE: Hot Spots on Protein Complexes with Extremely Randomized Trees via Sequence-Only Features


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Our group just published a new paper using AI to identify protein Hot-Spots using sequence-based information only. Checked the paper at https://www.mdpi.com/1422-0067/21/19/7281 and access the server at http://www.moreiralab.com/resources/spotone/.

Potassium channel dysfunction in models of neurodevelopmental disorders

Potassium channel dysfunction in models of neurodevelopmental disorders


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The Data-driven molecular design group, lead by Irina Moreira, PhD, is part of a project awarded with funding by LaCaixa Foundation and Fundação para a Ciência e a Tecnologia, I.P. by “Iniciativa Ibérica de Investigaçao e Inovaçao Biomédica, i4b”