228 related articles for article (PubMed ID: 36671507)
1. MetaScore: A Novel Machine-Learning-Based Approach to Improve Traditional Scoring Functions for Scoring Protein-Protein Docking Conformations.
Jung Y; Geng C; Bonvin AMJJ; Xue LC; Honavar VG
Biomolecules; 2023 Jan; 13(1):. PubMed ID: 36671507
[TBL] [Abstract][Full Text] [Related]
2. Boosted neural networks scoring functions for accurate ligand docking and ranking.
Ashtawy HM; Mahapatra NR
J Bioinform Comput Biol; 2018 Apr; 16(2):1850004. PubMed ID: 29495922
[TBL] [Abstract][Full Text] [Related]
3. iScore: a novel graph kernel-based function for scoring protein-protein docking models.
Geng C; Jung Y; Renaud N; Honavar V; Bonvin AMJJ; Xue LC
Bioinformatics; 2020 Jan; 36(1):112-121. PubMed ID: 31199455
[TBL] [Abstract][Full Text] [Related]
4. Machine learning in computational docking.
Khamis MA; Gomaa W; Ahmed WF
Artif Intell Med; 2015 Mar; 63(3):135-52. PubMed ID: 25724101
[TBL] [Abstract][Full Text] [Related]
5. Task-Specific Scoring Functions for Predicting Ligand Binding Poses and Affinity and for Screening Enrichment.
Ashtawy HM; Mahapatra NR
J Chem Inf Model; 2018 Jan; 58(1):119-133. PubMed ID: 29190087
[TBL] [Abstract][Full Text] [Related]
6. Machine-learning scoring functions for identifying native poses of ligands docked to known and novel proteins.
Ashtawy HM; Mahapatra NR
BMC Bioinformatics; 2015; 16 Suppl 6(Suppl 6):S3. PubMed ID: 25916860
[TBL] [Abstract][Full Text] [Related]
7. Systematic Improvement of the Performance of Machine Learning Scoring Functions by Incorporating Features of Protein-Bound Water Molecules.
Qu X; Dong L; Zhang J; Si Y; Wang B
J Chem Inf Model; 2022 Sep; 62(18):4369-4379. PubMed ID: 36083808
[TBL] [Abstract][Full Text] [Related]
8. Can machine learning consistently improve the scoring power of classical scoring functions? Insights into the role of machine learning in scoring functions.
Shen C; Hu Y; Wang Z; Zhang X; Zhong H; Wang G; Yao X; Xu L; Cao D; Hou T
Brief Bioinform; 2021 Jan; 22(1):497-514. PubMed ID: 31982914
[TBL] [Abstract][Full Text] [Related]
9. Scoring a diverse set of high-quality docked conformations: a metascore based on electrostatic and desolvation interactions.
Camacho CJ; Ma H; Champ PC
Proteins; 2006 Jun; 63(4):868-77. PubMed ID: 16506242
[TBL] [Abstract][Full Text] [Related]
10. DockRank: ranking docked conformations using partner-specific sequence homology-based protein interface prediction.
Xue LC; Jordan RA; El-Manzalawy Y; Dobbs D; Honavar V
Proteins; 2014 Feb; 82(2):250-67. PubMed ID: 23873600
[TBL] [Abstract][Full Text] [Related]
11. Protein-protein docking with multiple residue conformations and residue substitutions.
Lorber DM; Udo MK; Shoichet BK
Protein Sci; 2002 Jun; 11(6):1393-408. PubMed ID: 12021438
[TBL] [Abstract][Full Text] [Related]
12. Classical scoring functions for docking are unable to exploit large volumes of structural and interaction data.
Li H; Peng J; Sidorov P; Leung Y; Leung KS; Wong MH; Lu G; Ballester PJ
Bioinformatics; 2019 Oct; 35(20):3989-3995. PubMed ID: 30873528
[TBL] [Abstract][Full Text] [Related]
13. The Impact of Protein Structure and Sequence Similarity on the Accuracy of Machine-Learning Scoring Functions for Binding Affinity Prediction.
Li H; Peng J; Leung Y; Leung KS; Wong MH; Lu G; Ballester PJ
Biomolecules; 2018 Mar; 8(1):. PubMed ID: 29538331
[TBL] [Abstract][Full Text] [Related]
14. A fully differentiable ligand pose optimization framework guided by deep learning and a traditional scoring function.
Wang Z; Zheng L; Wang S; Lin M; Wang Z; Kong AW; Mu Y; Wei Y; Li W
Brief Bioinform; 2023 Jan; 24(1):. PubMed ID: 36502369
[TBL] [Abstract][Full Text] [Related]
15. Learning from Docked Ligands: Ligand-Based Features Rescue Structure-Based Scoring Functions When Trained on Docked Poses.
Boyles F; Deane CM; Morris GM
J Chem Inf Model; 2022 Nov; 62(22):5329-5341. PubMed ID: 34469150
[TBL] [Abstract][Full Text] [Related]
16. Ensemble learning from ensemble docking: revisiting the optimum ensemble size problem.
Mohammadi S; Narimani Z; Ashouri M; Firouzi R; Karimi-Jafari MH
Sci Rep; 2022 Jan; 12(1):410. PubMed ID: 35013496
[TBL] [Abstract][Full Text] [Related]
17. Protein docking using surface matching and supervised machine learning.
Bordner AJ; Gorin AA
Proteins; 2007 Aug; 68(2):488-502. PubMed ID: 17444516
[TBL] [Abstract][Full Text] [Related]
18. Improving structure-based virtual screening performance via learning from scoring function components.
Xiong GL; Ye WL; Shen C; Lu AP; Hou TJ; Cao DS
Brief Bioinform; 2021 May; 22(3):. PubMed ID: 32496540
[TBL] [Abstract][Full Text] [Related]
19. The impact of cross-docked poses on performance of machine learning classifier for protein-ligand binding pose prediction.
Shen C; Hu X; Gao J; Zhang X; Zhong H; Wang Z; Xu L; Kang Y; Cao D; Hou T
J Cheminform; 2021 Oct; 13(1):81. PubMed ID: 34656169
[TBL] [Abstract][Full Text] [Related]
20. idDock+: Integrating Machine Learning in Probabilistic Search for Protein-Protein Docking.
Hashmi I; Shehu A
J Comput Biol; 2015 Sep; 22(9):806-22. PubMed ID: 26222714
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]