ZymePackNet: rotamer-sampling free graph neural network method for protein sidechain prediction
A. Mukhopadhyay, A. Kadan, B. McMaster, J. L. McWhirter, S. B. Dixit
ZymePackNet predicts protein sidechain conformations using a graph neural network without requiring rotamer libraries or energy functions, achieving high accuracy in dihedral angle prediction.
bioRxiv · May 5, 2023 · PreprintBiochemistry