31st May 2020
Pharmacelera gives free access to tool for focusing on virus targets in COVID-19
PharmScreen is a ligand-based virtual screening tool that uses accurate hydrophobic molecular descriptors derived from Quantum-Mechanics (QM) calculations to perform searches in virtual libraries given one or more starting points (active ligand or fragment).
Such a superior molecular representation helps mining a new chemical space and finds more original molecular candidates.
The team want to help researchers working on COVID-19 to expand the number of chemical series using structure-based approaches on some of the virus targets, like SARS-CoV-2 spike protein (PDB 6VSB).
PharmScreen will explore new chemical scaffolds based on available chemical series. In addition, researchers can use PharmScreen Scoring Function to re-evaluate docking poses, identifying additional hits and helping to prioritise your lead compounds.
The team is asking that the software only be used for COVID-19 projects and that anyone using the toll should cite the software in any derived communication of the results.
ASK: Research contributors needed for CON-VICE study
University of Luxembourg needs European researchers to get in touch
OFFER: Funding available for COVID-19 research
Fondation Air Liquide are looking to fund European projects
ASK: Supporting the immunocompromised
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