News
Activity Atlas is a new component of Forge for semi-quantitative SAR analysis. It summarizes all the SAR for a series into a 3D model that can be used to inform new molecule design.
The Activity Miner functionality in Forge and Torch has proven to be very popular with our users. For those who haven’t tried it, Activity Miner analyses your aligned data set and highlights the activity cliffs: those pairs of molecules which are highly similar but which have a large activity difference. A suite of intuitive visualizations allows you to explore your data, highlighting the activity cliff pairs and presenting the differences between them in terms of molecular fields. These field difference surfaces tie the observed activity change into the possible changes in the interaction of the ligands with the protein and can flag up subtle effects that are otherwise easy to overlook.
The pharmaceutical and biotech sectors suffer more data security breaches than any other industry, with 53% resulting from malicious activity. To protect against potential ...
Force fields provide critical infrastructure underlying a broad range of molecular modeling for drug discovery. Learn more in this recent ...
A chance to catch up on Professor Julien Michel's presentation at this recent Boston Area Group for Informatics and Modeling ...