News

Mid 2021 Summary

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The summer season has already started and, we would like to share with you what happened in Pharmacelera during the first half of 2021: new customers and collaborations, new team members, PharmWebinars series, technology updates, … Let’s have a look! Business News We successfully finalized services projects with customers located in the US, UK, Germany, Spain, […]

Scripts

The problem of selecting the best compounds

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Preselecting the final compound after a virtual HTS campaign is not an easy task. Once the screening tool has ranked all the molecules based on a score, the researcher has to make the final selection, a more complex task than simply choosing the best-ranked molecules from the list. Pharmacelera has developed a Jupyter Notebook to […]

Science

Ligand-based methods as potential solutions to GPCR drug discovery limitations

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G protein-coupled receptors (GPCRs), also known as heptahelical or 7-transmembrane receptors, are the largest family of membrane receptors. They are implicated in many human pathologies, and they represent an exceptionally important class of receptors to be studied, as they are crucial to key physiological functions from neurotransmission to cell growth to blood pressure regulation. A […]

Partnerships

Pharmacelera is pleased to announce a collaboration with Iktos in Artificial Intelligence supported Drug Discovery

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Iktoswill apply Pharmacelera’s accurate Quantum-Mechanics (QM) hydrophobic molecular 3D descriptors via the software package PharmQSAR to develop Machine Learning (ML) predictors for key molecular properties in de-novo drug discovery. “Pharmacelera offers an original, scientifically sound, and meaningful way of describing molecules, with excellent further applicability for Machine Learning and Artificial Intelligence driven Drug Discovery programs”, […]