316 related articles for article (PubMed ID: 30552524)
21. An Effective Swarm Intelligence Optimization Algorithm for Flexible Ligand Docking.
Li C; Sun J; Li LW; Wu X; Palade V
IEEE/ACM Trans Comput Biol Bioinform; 2022; 19(5):2672-2684. PubMed ID: 34375285
[TBL] [Abstract][Full Text] [Related]
22. 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]
23. A Comparison between Enrichment Optimization Algorithm (EOA)-Based and Docking-Based Virtual Screening.
Spiegel J; Senderowitz H
Int J Mol Sci; 2021 Dec; 23(1):. PubMed ID: 35008467
[TBL] [Abstract][Full Text] [Related]
24. 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]
25. AutoDock VinaXB: implementation of XBSF, new empirical halogen bond scoring function, into AutoDock Vina.
Koebel MR; Schmadeke G; Posner RG; Sirimulla S
J Cheminform; 2016; 8():27. PubMed ID: 27195023
[TBL] [Abstract][Full Text] [Related]
26. FIPSDock: a new molecular docking technique driven by fully informed swarm optimization algorithm.
Liu Y; Zhao L; Li W; Zhao D; Song M; Yang Y
J Comput Chem; 2013 Jan; 34(1):67-75. PubMed ID: 22961860
[TBL] [Abstract][Full Text] [Related]
27. Speed vs Accuracy: Effect on Ligand Pose Accuracy of Varying Box Size and Exhaustiveness in AutoDock Vina.
Agarwal R; Smith JC
Mol Inform; 2023 Feb; 42(2):e2200188. PubMed ID: 36262028
[TBL] [Abstract][Full Text] [Related]
28. A New, Improved Hybrid Scoring Function for Molecular Docking and Scoring Based on AutoDock and AutoDock Vina.
Tanchuk VY; Tanin VO; Vovk AI; Poda G
Chem Biol Drug Des; 2016 Apr; 87(4):618-25. PubMed ID: 26643167
[TBL] [Abstract][Full Text] [Related]
29. Towards Effective Consensus Scoring in Structure-Based Virtual Screening.
Nhat Phuong D; Flower DR; Chattopadhyay S; Chattopadhyay AK
Interdiscip Sci; 2023 Mar; 15(1):131-145. PubMed ID: 36550341
[TBL] [Abstract][Full Text] [Related]
30. Getting Docking into Shape Using Negative Image-Based Rescoring.
Kurkinen ST; Lätti S; Pentikäinen OT; Postila PA
J Chem Inf Model; 2019 Aug; 59(8):3584-3599. PubMed ID: 31290660
[TBL] [Abstract][Full Text] [Related]
31. Learning protein-ligand binding affinity with atomic environment vectors.
Meli R; Anighoro A; Bodkin MJ; Morris GM; Biggin PC
J Cheminform; 2021 Aug; 13(1):59. PubMed ID: 34391475
[TBL] [Abstract][Full Text] [Related]
32. 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]
33. PepVis: An integrated peptide virtual screening pipeline for ensemble and flexible docking protocols.
Ansar S; Vetrivel U
Chem Biol Drug Des; 2019 Dec; 94(6):2041-2050. PubMed ID: 31441995
[TBL] [Abstract][Full Text] [Related]
34. 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]
35. Comprehensive assessment of flexible-ligand docking algorithms: current effectiveness and challenges.
Huang SY
Brief Bioinform; 2018 Sep; 19(5):982-994. PubMed ID: 28334282
[TBL] [Abstract][Full Text] [Related]
36. QuickVina: accelerating AutoDock Vina using gradient-based heuristics for global optimization.
Handoko SD; Ouyang X; Su CT; Kwoh CK; Ong YS
IEEE/ACM Trans Comput Biol Bioinform; 2012; 9(5):1266-72. PubMed ID: 22641710
[TBL] [Abstract][Full Text] [Related]
37. 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]
38. Advances in Docking.
Sulimov VB; Kutov DC; Sulimov AV
Curr Med Chem; 2019; 26(42):7555-7580. PubMed ID: 30182836
[TBL] [Abstract][Full Text] [Related]
39. SODOCK: swarm optimization for highly flexible protein-ligand docking.
Chen HM; Liu BF; Huang HL; Hwang SF; Ho SY
J Comput Chem; 2007 Jan; 28(2):612-23. PubMed ID: 17186483
[TBL] [Abstract][Full Text] [Related]
40. Improving docking results via reranking of ensembles of ligand poses in multiple X-ray protein conformations with MM-GBSA.
Greenidge PA; Kramer C; Mozziconacci JC; Sherman W
J Chem Inf Model; 2014 Oct; 54(10):2697-717. PubMed ID: 25266271
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
