20 citations · 28 across the 4 of their papers we have counts for
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q-bio.QM2022★ 2 cited
LAST: Latent Space Assisted Adaptive Sampling for Protein Trajectories
Hao Tian, Xi Jiang, Sian Xiao +3
Molecular dynamics (MD) simulation is widely used to study protein conformations and dynamics. However, conventional simulation suffers from being trapped in some local energy mini…
q-bio.BM2022★ 4 cited
Accurate ADMET Prediction with XGBoost
Hao Tian, Rajas Ketkar, Peng Tao
The absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties are important in drug discovery as they define efficacy and safety. In this work, we applied an…