共 50 条
- [1] D3R grand challenge 2015: Evaluation of protein–ligand pose and affinity predictions Journal of Computer-Aided Molecular Design, 2016, 30 : 651 - 668
- [5] Mathematical deep learning for pose and binding affinity prediction and ranking in D3R Grand Challenges Journal of Computer-Aided Molecular Design, 2019, 33 : 71 - 82
- [6] Optimal affinity ranking for automated virtual screening validated in prospective D3R grand challenges Journal of Computer-Aided Molecular Design, 2018, 32 : 287 - 297
- [9] Large scale free energy calculations for blind predictions of protein–ligand binding: the D3R Grand Challenge 2015 Journal of Computer-Aided Molecular Design, 2016, 30 : 743 - 751