Our paper, “A Machine Learning Approach for Hot-Spot Detection at Protein-Protein Interfaces”, by Rita Melo et al., featuring a novel way to spot Hot-Spots using Machine Learning just reached 2000 views. Understanding protein-protein interactions is a key challenge in biochemistry. In this work, published in…
We have been granted 4 million CPU hours by SURFsara HPC within a collaboration with Bonvin’s lab on Molecular Simulation to understand crucial mechanistic features of GPCRs. SURFsara is an High Performance Computing & data infrastructure for science and industry that creates a bridge between research…
This Special Issue aims to collect new reports and insights from computational and experimental researchers on specific problems of great significance in GPCR signaling. The fundamental concept of “functional selectivity” or “ligand bias”, e.g., the molecular mechanisms for selectivity for different pathways and the design…
