PASSerRank: Prediction of Allosteric Sites with Learning to Rank

1 code implementation • 2 Feb 2023 • Hao Tian, Sian Xiao, Xi Jiang, Peng Tao

One of the major challenges in allosteric drug research is the identification of allosteric sites.

Drug Discovery Learning-To-Rank

LAST: Latent Space Assisted Adaptive Sampling for Protein Trajectories

1 code implementation • 27 Apr 2022 • Hao Tian, Xi Jiang, Sian Xiao, Hunter La Force, Eric C. Larson, Peng Tao

Based on this characteristic, we proposed a new adaptive sampling method, latent space assisted adaptive sampling for protein trajectories (LAST), to accelerate the exploration of protein conformational space.