PhD Project - Learning design rules for substrate affinity in metalloenzymes at University of Edinburgh, listed on FindAPhD.com

PhD Project - Active Learning for Optimising Fragment-to-Lead Decision-Making in High-Throughput Experiments at University of Edinburgh, listed on FindAPhD.com

Casual evening of discussing ideas on the frontier of biology — come chat about whatever research you're excited to do. Snacks provided! Organized by Silver…

This Review synthesizes the literature from over 10 years of Cell Painting for image-based profiling and highlights how advances in this technology enable new biological discovery of cellular phenotyp...

We present a simple method for assigning accurate confidence levels to molecular property predictions from regression models. These confidence levels are easy to interpret and useful for making decisi...

This work applies diffusion models to conditional molecule generation and shows how they can be used to tackle various structure-based drug design problems

While relative binding free energy (RBFE) calculations using alchemical methods are routinely carried out for many pharmaceutically relevant protein targets, challenges remain. For example, open-sourc...

Activating mutations of Ras are one of the most prevalent drivers of cancer and are often associated with poor clinical outcomes. Despite FDA approval for two irreversible inhibitors that target the i...

Foundation Model for Materials - FM4M. Contribute to IBM/materials development by creating an account on GitHub.

Small molecule kinase inhibitors are critical in the modern treatment of cancers, evidenced by the existence of over 80 FDA-approved small-molecule kinase inhibitors. Unfortunately, intrinsic or acqui...