How BioEmu Generates Protein Conformational Ensembles Faster Than MD

Microsoft Research’s AI for Science team released the open‑source BioEmu model, a generative diffusion architecture that leverages AlphaFold’s Evoformer and extensive MD and stability data to efficiently sample protein conformational ensembles, achieving near‑MD accuracy in free‑energy and mutation stability predictions while dramatically reducing computational cost.

AlphaFoldbioinformaticsdiffusion model

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How BioEmu Generates Protein Conformational Ensembles Faster Than MD

DataFunSummit

Jun 26, 2023 · Artificial Intelligence

Advances in Graph Neural Networks and Graph Representation Learning for Protein Modeling

This article reviews the fundamentals of graph neural networks and graph representation learning, explains why proteins can be modeled as graphs, and surveys recent GNN‑based applications such as structure prediction, function annotation, protein design, and self‑supervised representation learning, concluding with future research directions.

AlphaFold2bioinformaticsgraph neural networks

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Advances in Graph Neural Networks and Graph Representation Learning for Protein Modeling