Boosting Protein–Ligand Binding Pose Prediction and Virtual Screening Based on Residue–Atom Distance Likelihood Potential and Graph Transformer
2022 · Journal of Medicinal Chemistry · 166 citations
https://doi.org/10.1021/acs.jmedchem.2c00991
C
Chao Shen
Anhui University(CN)
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Chao Shen is an academic researcher from Anhui University. The author has contributed to research in topics: Computational Drug Discovery Methods & Protein Structure and Dynamics & Machine Learning in Materials Science. The author has an h-index of 30, co-authored 112 publications.
ORCID: 0000-0003-2783-5529Papers by this author
worksEfficient and accurate large library ligand docking with KarmaDock
2023 · Nature Computational Science · 134 citations
https://doi.org/10.1038/s43588-023-00511-5
ResGen is a pocket-aware 3D molecular generation model based on parallel multiscale modelling
2023 · Nature Machine Intelligence · 88 citations
https://doi.org/10.1038/s42256-023-00712-7
CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training
2023 · Chemical Science · 49 citations
https://doi.org/10.1039/d3sc05552c
DrugFlow: An AI-Driven One-Stop Platform for Innovative Drug Discovery
2024 · Journal of Chemical Information and Modeling · 34 citations
https://doi.org/10.1021/acs.jcim.4c00621
Benchmarking AI-powered docking methods from the perspective of virtual screening
2025 · Nature Machine Intelligence · 22 citations
https://doi.org/10.1038/s42256-025-00993-0
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