200 related articles for article (PubMed ID: 34290496)
1. DEELIG: A Deep Learning Approach to Predict Protein-Ligand Binding Affinity.
Ahmed A; Mam B; Sowdhamini R
Bioinform Biol Insights; 2021; 15():11779322211030364. PubMed ID: 34290496
[TBL] [Abstract][Full Text] [Related]
2. A New Hybrid Neural Network Deep Learning Method for Protein-Ligand Binding Affinity Prediction and De Novo Drug Design.
Limbu S; Dakshanamurthy S
Int J Mol Sci; 2022 Nov; 23(22):. PubMed ID: 36430386
[TBL] [Abstract][Full Text] [Related]
3. AK-Score: Accurate Protein-Ligand Binding Affinity Prediction Using an Ensemble of 3D-Convolutional Neural Networks.
Kwon Y; Shin WH; Ko J; Lee J
Int J Mol Sci; 2020 Nov; 21(22):. PubMed ID: 33182567
[TBL] [Abstract][Full Text] [Related]
4. PLANET: A Multi-objective Graph Neural Network Model for Protein-Ligand Binding Affinity Prediction.
Zhang X; Gao H; Wang H; Chen Z; Zhang Z; Chen X; Li Y; Qi Y; Wang R
J Chem Inf Model; 2024 Apr; 64(7):2205-2220. PubMed ID: 37319418
[TBL] [Abstract][Full Text] [Related]
5. Deep Learning in Drug Design: Protein-Ligand Binding Affinity Prediction.
Rezaei MA; Li Y; Wu D; Li X; Li C
IEEE/ACM Trans Comput Biol Bioinform; 2022; 19(1):407-417. PubMed ID: 33360998
[TBL] [Abstract][Full Text] [Related]
6. 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]
7. 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]
8. 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]
9. 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]
10. Development of a graph convolutional neural network model for efficient prediction of protein-ligand binding affinities.
Son J; Kim D
PLoS One; 2021; 16(4):e0249404. PubMed ID: 33831016
[TBL] [Abstract][Full Text] [Related]
11. AtomNet PoseRanker: Enriching Ligand Pose Quality for Dynamic Proteins in Virtual High-Throughput Screens.
Stafford KA; Anderson BM; Sorenson J; van den Bedem H
J Chem Inf Model; 2022 Mar; 62(5):1178-1189. PubMed ID: 35235748
[TBL] [Abstract][Full Text] [Related]
12. DLSSAffinity: protein-ligand binding affinity prediction
Wang H; Liu H; Ning S; Zeng C; Zhao Y
Phys Chem Chem Phys; 2022 May; 24(17):10124-10133. PubMed ID: 35416807
[TBL] [Abstract][Full Text] [Related]
13. K
Jiménez J; Škalič M; Martínez-Rosell G; De Fabritiis G
J Chem Inf Model; 2018 Feb; 58(2):287-296. PubMed ID: 29309725
[TBL] [Abstract][Full Text] [Related]
14. 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]
15. 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]
16. Deep Scoring Neural Network Replacing the Scoring Function Components to Improve the Performance of Structure-Based Molecular Docking.
Yang L; Yang G; Chen X; Yang Q; Yao X; Bing Z; Niu Y; Huang L; Yang L
ACS Chem Neurosci; 2021 Jun; 12(12):2133-2142. PubMed ID: 34081851
[TBL] [Abstract][Full Text] [Related]
17. DeepBindRG: a deep learning based method for estimating effective protein-ligand affinity.
Zhang H; Liao L; Saravanan KM; Yin P; Wei Y
PeerJ; 2019; 7():e7362. PubMed ID: 31380152
[TBL] [Abstract][Full Text] [Related]
18. 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]
19. CSConv2d: A 2-D Structural Convolution Neural Network with a Channel and Spatial Attention Mechanism for Protein-Ligand Binding Affinity Prediction.
Wang X; Liu D; Zhu J; Rodriguez-Paton A; Song T
Biomolecules; 2021 Apr; 11(5):. PubMed ID: 33925310
[TBL] [Abstract][Full Text] [Related]
20. Forging the Basis for Developing Protein-Ligand Interaction Scoring Functions.
Liu Z; Su M; Han L; Liu J; Yang Q; Li Y; Wang R
Acc Chem Res; 2017 Feb; 50(2):302-309. PubMed ID: 28182403
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]