By Silvia Illa – Oct. 26, 2021 It’s been almost a year since DeepMind’s AlphaFold algorithm won the CASP14 (Critical Assessment of Protein Structure) protein-structure-prediction
Istituto Italiano di Tecnologia (IIT) and Pharmacelera announce that they will collaborate in the field of drug discovery. In particular, the Ligand-based tool PharmScreen will
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
By Alessandro Deplano – Jan. 9, 2021 Preselecting the final compound after a virtual HTS campaign is not an easy task. Once the screening tool
By Giorgia Zaetta – May. 19, 2021 G protein-coupled receptors (GPCRs), also known as heptahelical or 7-transmembrane receptors, are the largest family of membrane receptors.
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
By Giorgia Zaetta – March. 9, 2021 The challenges of CNS Drug Discovery In the last decades, few clinically active drugs for brain disorders were identified, and many research projects have been abandoned because of drawbacks in the drug discovery pipeline. One of the
By Enric Gibert – Jan. 11, 2021 No doubt that 2020 was a challenging year. We sincerely hope you, your colleagues, and family remain safe
By Giorgia Zaetta – Dec. 11, 2020 Lipophilicity is the property of a molecule that describes its distribution between water and octanol, and it is
By Melanie Berg – Nov. 30, 2020 Pharmacelera is proud to announce today, that an agreement was reached with Helmholtz Centre for Infection Research (HZI)
By Lluis Campos – Sep. 23, 2020 Molecular Docking is a key tool in Structure Based Drug Discovery (SBDD), as it aims to determine the
We are happy to announce that PharmScreen, our virtual screening tool is available for Knime. Knime is a free open-source platform that uses a modular
The Severe Acute Respiratory Syndrome coronavirus 2 (SARS-CoV-2) or COVID-19 has spread to all countries without exception, affecting not only risk-population but also young people
2019 was an exciting year for Pharmacelera and we look forward to 2020 with energy and commitment. Stay tuned for updates in forthcoming months! Let’s
By Javier Vazquez – Dec. 11, 2019 Virtual Screening (VS) is a core in-silico technology in medicinal and computational chemistry. Several tools have been developed
Researchers at Bellvitge Biomedical Research Institute will develop a research project with the company Pharmacelera to look for new molecules that block the cohesin complex,
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