152 related articles for article (PubMed ID: 37972310)
1. Comparative Assessment of Pose Prediction Accuracy in RNA-Ligand Docking.
Agarwal R; T RR; Smith JC
J Chem Inf Model; 2023 Dec; 63(23):7444-7452. PubMed ID: 37972310
[TBL] [Abstract][Full Text] [Related]
2. Autodock Vina Adopts More Accurate Binding Poses but Autodock4 Forms Better Binding Affinity.
Nguyen NT; Nguyen TH; Pham TNH; Huy NT; Bay MV; Pham MQ; Nam PC; Vu VV; Ngo ST
J Chem Inf Model; 2020 Jan; 60(1):204-211. PubMed ID: 31887035
[TBL] [Abstract][Full Text] [Related]
3. 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]
4. rDock: a fast, versatile and open source program for docking ligands to proteins and nucleic acids.
Ruiz-Carmona S; Alvarez-Garcia D; Foloppe N; Garmendia-Doval AB; Juhos S; Schmidtke P; Barril X; Hubbard RE; Morley SD
PLoS Comput Biol; 2014 Apr; 10(4):e1003571. PubMed ID: 24722481
[TBL] [Abstract][Full Text] [Related]
5. FlexAID: Revisiting Docking on Non-Native-Complex Structures.
Gaudreault F; Najmanovich RJ
J Chem Inf Model; 2015 Jul; 55(7):1323-36. PubMed ID: 26076070
[TBL] [Abstract][Full Text] [Related]
6. Comparative Assessment of Docking Programs for Docking and Virtual Screening of Ribosomal Oxazolidinone Antibacterial Agents.
Buckley ME; Ndukwe ARN; Nair PC; Rana S; Fairfull-Smith KE; Gandhi NS
Antibiotics (Basel); 2023 Feb; 12(3):. PubMed ID: 36978331
[TBL] [Abstract][Full Text] [Related]
7. How Good Are Current Docking Programs at Nucleic Acid-Ligand Docking? A Comprehensive Evaluation.
Jiang D; Zhao H; Du H; Deng Y; Wu Z; Wang J; Zeng Y; Zhang H; Wang X; Wu J; Hsieh CY; Hou T
J Chem Theory Comput; 2023 Aug; 19(16):5633-5647. PubMed ID: 37480347
[TBL] [Abstract][Full Text] [Related]
8. Assessing Molecular Docking Tools to Guide Targeted Drug Discovery of CD38 Inhibitors.
Boittier ED; Tang YY; Buckley ME; Schuurs ZP; Richard DJ; Gandhi NS
Int J Mol Sci; 2020 Jul; 21(15):. PubMed ID: 32707824
[TBL] [Abstract][Full Text] [Related]
9. Evaluation of AutoDock and AutoDock Vina on the CASF-2013 Benchmark.
Gaillard T
J Chem Inf Model; 2018 Aug; 58(8):1697-1706. PubMed ID: 29989806
[TBL] [Abstract][Full Text] [Related]
10. Highly Flexible Ligand Docking: Benchmarking of the DockThor Program on the LEADS-PEP Protein-Peptide Data Set.
Santos KB; Guedes IA; Karl ALM; Dardenne LE
J Chem Inf Model; 2020 Feb; 60(2):667-683. PubMed ID: 31922754
[TBL] [Abstract][Full Text] [Related]
11. Calculating an optimal box size for ligand docking and virtual screening against experimental and predicted binding pockets.
Feinstein WP; Brylinski M
J Cheminform; 2015; 7():18. PubMed ID: 26082804
[TBL] [Abstract][Full Text] [Related]
12. RmsdXNA: RMSD prediction of nucleic acid-ligand docking poses using machine-learning method.
Tan LH; Kwoh CK; Mu Y
Brief Bioinform; 2024 Mar; 25(3):. PubMed ID: 38695120
[TBL] [Abstract][Full Text] [Related]
13. Comprehensive Evaluation of 10 Docking Programs on a Diverse Set of Protein-Cyclic Peptide Complexes.
Zhao H; Jiang D; Shen C; Zhang J; Zhang X; Wang X; Nie D; Hou T; Kang Y
J Chem Inf Model; 2024 Mar; 64(6):2112-2124. PubMed ID: 38483249
[TBL] [Abstract][Full Text] [Related]
14. Improving protein-ligand docking results using the Semiempirical quantum mechanics: testing on the PDBbind 2016 core set.
Mohebbinia Z; Firouzi R; Karimi-Jafari MH
J Biomol Struct Dyn; 2024 Jan; ():1-11. PubMed ID: 38165642
[TBL] [Abstract][Full Text] [Related]
15. 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]
16. The scoring bias in reverse docking and the score normalization strategy to improve success rate of target fishing.
Luo Q; Zhao L; Hu J; Jin H; Liu Z; Zhang L
PLoS One; 2017; 12(2):e0171433. PubMed ID: 28196116
[TBL] [Abstract][Full Text] [Related]
17. FWAVina: A novel optimization algorithm for protein-ligand docking based on the fireworks algorithm.
Li J; Song Y; Li F; Zhang H; Liu W
Comput Biol Chem; 2020 Oct; 88():107363. PubMed ID: 32861160
[TBL] [Abstract][Full Text] [Related]
18. fastDRH: a webserver to predict and analyze protein-ligand complexes based on molecular docking and MM/PB(GB)SA computation.
Wang Z; Pan H; Sun H; Kang Y; Liu H; Cao D; Hou T
Brief Bioinform; 2022 Sep; 23(5):. PubMed ID: 35580866
[TBL] [Abstract][Full Text] [Related]
19. The Performance of Several Docking Programs at Reproducing Protein-Macrolide-Like Crystal Structures.
Castro-Alvarez A; Costa AM; Vilarrasa J
Molecules; 2017 Jan; 22(1):. PubMed ID: 28106755
[TBL] [Abstract][Full Text] [Related]
20. Compromise in Docking Power of Liganded Crystal Structures of M
Zajaček D; Dunárová A; Bucinsky L; Štekláč M
J Chem Inf Model; 2024 Mar; 64(5):1628-1643. PubMed ID: 38408033
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
