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Directed Weight Neural Networks for Protein Structure Representation Learning. (arXiv:2201.13299v3 [q-bio.BM] UPDATED)
cs.LG updates on arXiv.org arxiv.org
A protein performs biological functions by folding to a particular 3D
structure. To accurately model the protein structures, both the overall
geometric topology and local fine-grained relations between amino acids (e.g.
side-chain torsion angles and inter-amino-acid orientations) should be
carefully considered. In this work, we propose the Directed Weight Neural
Network for better capturing geometric relations among different amino acids.
Extending a single weight from a scalar to a 3D directed vector, our new
framework supports a rich set of …
arxiv bio learning networks neural networks protein protein structure representation representation learning