245 related articles for article (PubMed ID: 33360998)
21. Development and evaluation of a deep learning model for protein-ligand binding affinity prediction.
Stepniewska-Dziubinska MM; Zielenkiewicz P; Siedlecki P
Bioinformatics; 2018 Nov; 34(21):3666-3674. PubMed ID: 29757353
[TBL] [Abstract][Full Text] [Related]
22. BgN-Score and BsN-Score: bagging and boosting based ensemble neural networks scoring functions for accurate binding affinity prediction of protein-ligand complexes.
Ashtawy HM; Mahapatra NR
BMC Bioinformatics; 2015; 16 Suppl 4(Suppl 4):S8. PubMed ID: 25734685
[TBL] [Abstract][Full Text] [Related]
23. Three-Dimensional Convolutional Neural Networks and a Cross-Docked Data Set for Structure-Based Drug Design.
Francoeur PG; Masuda T; Sunseri J; Jia A; Iovanisci RB; Snyder I; Koes DR
J Chem Inf Model; 2020 Sep; 60(9):4200-4215. PubMed ID: 32865404
[TBL] [Abstract][Full Text] [Related]
24. CScore: a simple yet effective scoring function for protein-ligand binding affinity prediction using modified CMAC learning architecture.
Ouyang X; Handoko SD; Kwoh CK
J Bioinform Comput Biol; 2011 Dec; 9 Suppl 1():1-14. PubMed ID: 22144250
[TBL] [Abstract][Full Text] [Related]
25. Ensemble of local and global information for Protein-Ligand Binding Affinity Prediction.
Li G; Yuan Y; Zhang R
Comput Biol Chem; 2023 Dec; 107():107972. PubMed ID: 37883905
[TBL] [Abstract][Full Text] [Related]
26. Prediction of protein-ligand binding affinity via deep learning models.
Wang H
Brief Bioinform; 2024 Jan; 25(2):. PubMed ID: 38446737
[TBL] [Abstract][Full Text] [Related]
27. Protein-Ligand Scoring with Convolutional Neural Networks.
Ragoza M; Hochuli J; Idrobo E; Sunseri J; Koes DR
J Chem Inf Model; 2017 Apr; 57(4):942-957. PubMed ID: 28368587
[TBL] [Abstract][Full Text] [Related]
28. Comprehensive evaluation of ten docking programs on a diverse set of protein-ligand complexes: the prediction accuracy of sampling power and scoring power.
Wang Z; Sun H; Yao X; Li D; Xu L; Li Y; Tian S; Hou T
Phys Chem Chem Phys; 2016 May; 18(18):12964-75. PubMed ID: 27108770
[TBL] [Abstract][Full Text] [Related]
29. Visualizing convolutional neural network protein-ligand scoring.
Hochuli J; Helbling A; Skaist T; Ragoza M; Koes DR
J Mol Graph Model; 2018 Sep; 84():96-108. PubMed ID: 29940506
[TBL] [Abstract][Full Text] [Related]
30. Energy-based graph convolutional networks for scoring protein docking models.
Cao Y; Shen Y
Proteins; 2020 Aug; 88(8):1091-1099. PubMed ID: 32144844
[TBL] [Abstract][Full Text] [Related]
31. ET-score: Improving Protein-ligand Binding Affinity Prediction Based on Distance-weighted Interatomic Contact Features Using Extremely Randomized Trees Algorithm.
Rayka M; Karimi-Jafari MH; Firouzi R
Mol Inform; 2021 Aug; 40(8):e2060084. PubMed ID: 34021703
[TBL] [Abstract][Full Text] [Related]
32. Deep Learning Model for Efficient Protein-Ligand Docking with Implicit Side-Chain Flexibility.
Masters MR; Mahmoud AH; Wei Y; Lill MA
J Chem Inf Model; 2023 Mar; 63(6):1695-1707. PubMed ID: 36916514
[TBL] [Abstract][Full Text] [Related]
33. Combining Docking Pose Rank and Structure with Deep Learning Improves Protein-Ligand Binding Mode Prediction over a Baseline Docking Approach.
Morrone JA; Weber JK; Huynh T; Luo H; Cornell WD
J Chem Inf Model; 2020 Sep; 60(9):4170-4179. PubMed ID: 32077698
[TBL] [Abstract][Full Text] [Related]
34. Ligand binding affinity prediction with fusion of graph neural networks and 3D structure-based complex graph.
Dong L; Shi S; Qu X; Luo D; Wang B
Phys Chem Chem Phys; 2023 Sep; 25(35):24110-24120. PubMed ID: 37655493
[TBL] [Abstract][Full Text] [Related]
35. Multiple grid arrangement improves ligand docking with unknown binding sites: Application to the inverse docking problem.
Ban T; Ohue M; Akiyama Y
Comput Biol Chem; 2018 Apr; 73():139-146. PubMed ID: 29482137
[TBL] [Abstract][Full Text] [Related]
36. DeepBindGCN: Integrating Molecular Vector Representation with Graph Convolutional Neural Networks for Protein-Ligand Interaction Prediction.
Zhang H; Saravanan KM; Zhang JZH
Molecules; 2023 Jun; 28(12):. PubMed ID: 37375246
[TBL] [Abstract][Full Text] [Related]
37. Predicting protein-ligand binding residues with deep convolutional neural networks.
Cui Y; Dong Q; Hong D; Wang X
BMC Bioinformatics; 2019 Feb; 20(1):93. PubMed ID: 30808287
[TBL] [Abstract][Full Text] [Related]
38. 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]
39. Nonlinear scoring functions for similarity-based ligand docking and binding affinity prediction.
Brylinski M
J Chem Inf Model; 2013 Nov; 53(11):3097-112. PubMed ID: 24171431
[TBL] [Abstract][Full Text] [Related]
40. OnionNet: a Multiple-Layer Intermolecular-Contact-Based Convolutional Neural Network for Protein-Ligand Binding Affinity Prediction.
Zheng L; Fan J; Mu Y
ACS Omega; 2019 Oct; 4(14):15956-15965. PubMed ID: 31592466
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]