Tingjun Hou

Dec 19, 2024 | pubs.rsc.org | Tingjun Hou

Correction: FragGen: towards 3D geometry reliable fragment-based molecular generation Correction for ‘FragGen: towards 3D geometry reliable fragment-based molecular generation’ by Odin Zhang et al., Chem. Sci., 2024, 15, 19452–19465, https://doi.org/10.1039/D4SC04620J. This article is Open Access This article has not yet been cited.

Oct 3, 2024 | dx.doi.org | He Liu |Chao Shen |Haonan Li |Tingjun Hou

Dec 19, 2023 | pubs.rsc.org | Tingjun Hou |Chao Shen |Tianye Jian

CarsiDock: a deep learning paradigm for accurate protein-ligand docking and screening based on large-scale pre-training The expertise accumulated on deep neural networks-based structure prediction has been widely transferred to the field of protein-ligand binding pose prediction, thus leading to the emergence of a variety of deep learning-guided docking models for predicting protein-ligand binding poses without relying on heavy sampling.

Jul 4, 2023 | pubs.rsc.org | Tingjun Hou |Chao Shen |Xujun Zhang |Chang-Yu Hsieh

A generalized protein-ligand scoring framework with balanced scoring, docking, ranking and screening powers Tingjun Hou, Chao Shen, Xujun Zhang, Chang-Yu Hsieh, Yafeng Deng, Dong Wang, Lei Xu, Jian Wu, Dan Li, Yu Kang and Peichen Pan Abstract Applying machine learning algorithms to protein-ligand scoring functions has aroused widespread attention in recent years due to the high predictive accuracy and affordable computational cost. Nevertheless, most machine learning-based scoring functions...