Scripts
The problem of selecting the best compounds
By Alessandro Deplano – Jan. 9, 2021 Preselecting the final compound after a virtual HTS campaign is not an easy task. Once
June 9, 2021
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By Alessandro Deplano – Jan. 9, 2021 Preselecting the final compound after a virtual HTS campaign is not an easy task. Once
By Giorgia Zaetta – May. 19, 2021 G protein-coupled receptors (GPCRs), also known as heptahelical or 7-transmembrane receptors, are the largest family
Iktoswill apply Pharmacelera’s accurate Quantum-Mechanics (QM) hydrophobic molecular 3D descriptors via the software package PharmQSAR to develop Machine Learning (ML) predictors for
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
By Enric Gibert – Jan. 11, 2021 No doubt that 2020 was a challenging year. We sincerely hope you, your colleagues, and
By Giorgia Zaetta – Dec. 11, 2020 Lipophilicity is the property of a molecule that describes its distribution between water and octanol,
By Melanie Berg – Nov. 30, 2020 Pharmacelera is proud to announce today, that an agreement was reached with Helmholtz Centre for
By Lluis Campos – Sep. 23, 2020 Molecular Docking is a key tool in Structure Based Drug Discovery (SBDD), as it aims
We are happy to announce that PharmScreen, our virtual screening tool is available for Knime. Knime is a free open-source platform that
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
2019 was an exciting year for Pharmacelera and we look forward to 2020 with energy and commitment. Stay tuned for updates in
By Javier Vazquez – Dec. 11, 2019 Virtual Screening (VS) is a core in-silico technology in medicinal and computational chemistry. Several tools
Researchers at Bellvitge Biomedical Research Institute will develop a research project with the company Pharmacelera to look for new molecules that block
PharmScreen evolves day by day thanks to the feedback of many computational and medicinal chemists! We have been incorporating different features to
Why protein-protein interactions are important? Protein-protein interactions (PPI) play a major role in several of the cellular functions and processes that take
Today, the amount of data generated in many fields such as engineering, social sciences or medicine is suffering a tremendous scale-up. Extraction