我们提出了DIFFDOCK-PP,一种用于刚性蛋白质-蛋白质对接的扩散生成模型。我们的方法受到了分子对接领域最新进展的启发(Corso等,2022年),该方法通过生成模型来处理配体姿态的对接问题。DIFFDOCK-PP在性能上优于现有的深度学习模型,并与基于搜索的方法在计算成本的分数上表现竞争力。我们简单的方法的有效性为进一步研究利用...
本研究提出了一种基于扩散生成模型的刚性蛋白-蛋白对接方法：DIFFDOCK-PP。该方法通过学习将非结合蛋白质结构转化为结合构象，在DIPS数据集上实现了最先进的性能，中位C-RMSD为4.85，优于所有考虑的基线。此外，DIFFDOCK-PP运行速度快，并为其预测生成可靠的置信度估计。导言 蛋白质通过与其他生物分子相...
Implementation of DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models in PyTorch (ICLR 2023 - MLDD Workshop) - biocad/DiffDock-PP
In this work, we propose a similar approach for rigid protein-protein docking: DiffDock-PP is a diffusion generative model that learns to translate and rotate unbound protein structures into their bound conformations. We achieve state-of-the-art performance on DIPS with a median C-RMSD of 4.85...
For other interactions we recommend looking at [DiffDock-PP](https://github.com/ketatam/DiffDock-PP) (rigid protein-protein interactions), [AlphaFold-Multimer](https://github.com/google-deepmind/alphafold) (flexible protein-protein interactions) or [RoseTTAFold2NA](https://github.com/uw-ipd/...
For other interactions we recommend looking at [DiffDock-PP](https://github.com/ketatam/DiffDock-PP) (rigid protein-protein interactions), [AlphaFold-Multimer](https://github.com/google-deepmind/alphafold) (flexible protein-protein interactions) or [RoseTTAFold2NA](https://github.com/uw-ipd/...
[DiffDock-PP](https://github.com/ketatam/DiffDock-PP) (rigid protein-protein interactions), [AlphaFold-Multimer](https://github.com/google-deepmind/alphafold) (flexible protein-protein interactions) or [RoseTTAFold2NA](https://github.com/uw-ipd/RoseTTAFold2NA) (protein-nucleic acid interactions...
[DiffDock-PP](https://github.com/ketatam/DiffDock-PP) (rigid protein-protein interactions), [AlphaFold-Multimer](https://github.com/google-deepmind/alphafold) (flexible protein-protein interactions) or [RoseTTAFold2NA](https://github.com/uw-ipd/RoseTTAFold2NA) (protein-nucleic acid interactions...
[DiffDock-PP](https://github.com/ketatam/DiffDock-PP) (rigid protein-protein interactions), [AlphaFold-Multimer](https://github.com/google-deepmind/alphafold) (flexible protein-protein interactions) or [RoseTTAFold2NA](https://github.com/uw-ipd/RoseTTAFold2NA) (protein-nucleic acid interactions...
[DiffDock-PP](https://github.com/ketatam/DiffDock-PP) (rigid protein-protein interactions), [AlphaFold-Multimer](https://github.com/google-deepmind/alphafold) (flexible protein-protein interactions) or [RoseTTAFold2NA](https://github.com/uw-ipd/RoseTTAFold2NA) (protein-nucleic acid interactions...