EvolMPNN: Predicting Mutational Effect on Homologous Proteins by Evolution Encoding

arXiv:2402.13418v1 Announce Type: new
Abstract: Predicting protein properties is paramount for biological and medical advancements. Current protein engineering mutates on a typical protein, called the wild-type, to construct a family of homologous proteins and study their properties. Yet, existing methods easily neglect subtle mutations, failing to capture the effect on the protein properties. To this end, we propose EvolMPNN, Evolution-aware Message Passing Neural Network, to learn evolution-aware protein embeddings. EvolMPNN samples sets of anchor proteins, computes evolutionary information by means …

abstract arxiv construct cs.lg current encoding engineering evolution family medical protein protein engineering proteins q-bio.bm study type