Descripció del projecte
The selected candidate will participate on the development of novel structural bioinformatic tools and their implementation into playmolecule.org, an online platform which offers bioinformatic solutions to some common problems in this field. These applications could include virtual screening, free energy computation, binding site detection or binding affinity prediction using machine learning methods or other knowledge based approaches. The candidate will also participate in an ongoing project of knowledge-based protein-ligand docking application, which uses deep networks to learn the chemical features involved in ligand-protein interactions. This PhD project will involve both Acellera Ltd. and Computational Biophysics group, collaborations with other groups are likely.
