Jiahua Peng

Molecular dynamics descriptors for 1,079 post-translationally modified protein systems

Dyna-MO PTM brings together 1,079 AlphaFold 3-seeded systems covering lysine acetylation, lysine and arginine monomethylation, and serine, threonine and tyrosine phosphorylation to filter PTM contexts, reproduce descriptors, prioritise longer simulations and evaluate trajectory-analysis or generative methods.