41 citations · 106 across the 22 of their papers we have counts for
4 papers · 1 filter
Pre-training Co-evolutionary Protein Representation via A Pairwise Masked Language Model
Liang He, Shizhuo Zhang, Lijun Wu +10
Understanding protein sequences is vital and urgent for biology, healthcare, and medicine. Labeling approaches are expensive yet time-consuming, while the amount of unlabeled data…
Improved Drug-target Interaction Prediction with Intermolecular Graph Transformer
Siyuan Liu, Yusong Wang, Tong Wang +6
The identification of active binding drugs for target proteins (termed as drug-target interaction prediction) is the key challenge in virtual screening, which plays an essential ro…
SE(3) Equivariant Graph Neural Networks with Complete Local Frames
Weitao Du, He Zhang, Yuanqi Du +4
Group equivariance (e.g. SE(3) equivariance) is a critical physical symmetry in science, from classical and quantum physics to computational biology. It enables robust and accurate…
Exploring the Regulatory Function of the N-terminal Domain of SARS-CoV-2 Spike Protein Through Molecular Dynamics Simulation
Yao Li, Tong Wang, Juanrong Zhang +5
SARS-CoV-2 is what has caused the COVID-19 pandemic. Early viral infection is mediated by the SARS-CoV-2 homo-trimeric Spike (S) protein with its receptor binding domains (RBDs) in…