Geometric deep learning methods and applications in 3D structure-based drug design

Author:

Bai QifengORCID,Xu Tingyang,Huang Junzhou,Pérez-Sánchez Horacio

Publisher

Elsevier BV

Reference100 articles.

1. Scientific discovery in the age of artificial intelligence;Wang;Nature,2023

2. Bronstein MM, Bruna J, Cohen T, Veličković P. Geometric deep learning: grids, groups, graphs, geodesics, and gauges. arXiv. Published online April 27, 2021. https://doi.org/10.48550/arXiv.2104.13478.

3. A geometric deep learning approach to predict binding conformations of bioactive molecules;Méndez-Lucio;Nat Mach Intell,2021

4. Application advances of deep learning methods for de novo drug design and molecular dynamics simulation;Bai;Wiley Interdiscip Rev: Comput Mol Sci,2022

5. MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm;Bai;Brief Bioinfor,2021

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