Side-chain Packing Using SE(3)-Transformer

Pac Symp Biocomput. 2022;27:46-55.ABSTRACTPredicting protein side-chains is important for both protein structure prediction and protein design. Modeling approaches to predict side-chains such as SCWRL4 have become one of the most widely used tools of its type due to fast and highly accurate predictions. Motivated by the recent success of AlphaFold2 in CASP14, our group adapted a 3D equivariant neural network architecture to predict protein side-chain conformations, specifically within a protein-protein interface, a problem that has not been fully addressed by AlphaFold2.PMID:34890135

Source: Pacific Symposium on Biocomputing - December 10, 2021 Category: Bioinformatics Authors: Akhil Jindal Sergei Kotelnikov Dzmitry Padhorny Dima Kozakov Yimin Zhu Rezaul Chowdhury Sandor Vajda Source Type: research