330 related articles for article (PubMed ID: 31452107)
21. Performance of MDockPP in CAPRI rounds 28-29 and 31-35 including the prediction of water-mediated interactions.
Xu X; Qiu L; Yan C; Ma Z; Grinter SZ; Zou X
Proteins; 2017 Mar; 85(3):424-434. PubMed ID: 27802576
[TBL] [Abstract][Full Text] [Related]
22. NRGsuite: a PyMOL plugin to perform docking simulations in real time using FlexAID.
Gaudreault F; Morency LP; Najmanovich RJ
Bioinformatics; 2015 Dec; 31(23):3856-8. PubMed ID: 26249810
[TBL] [Abstract][Full Text] [Related]
23. Exploring the Scoring Function Space.
Bitencourt-Ferreira G; de Azevedo WF
Methods Mol Biol; 2019; 2053():275-281. PubMed ID: 31452111
[TBL] [Abstract][Full Text] [Related]
24. Cross-docking benchmark for automated pose and ranking prediction of ligand binding.
Wierbowski SD; Wingert BM; Zheng J; Camacho CJ
Protein Sci; 2020 Jan; 29(1):298-305. PubMed ID: 31721338
[TBL] [Abstract][Full Text] [Related]
25. Dynamic Docking: A Paradigm Shift in Computational Drug Discovery.
Gioia D; Bertazzo M; Recanatini M; Masetti M; Cavalli A
Molecules; 2017 Nov; 22(11):. PubMed ID: 29165360
[TBL] [Abstract][Full Text] [Related]
26. MedusaDock 2.0: Efficient and Accurate Protein-Ligand Docking With Constraints.
Wang J; Dokholyan NV
J Chem Inf Model; 2019 Jun; 59(6):2509-2515. PubMed ID: 30946779
[TBL] [Abstract][Full Text] [Related]
27. MOLS 2.0: software package for peptide modeling and protein-ligand docking.
Paul DS; Gautham N
J Mol Model; 2016 Oct; 22(10):239. PubMed ID: 27638416
[TBL] [Abstract][Full Text] [Related]
28. AutoDockFR: Advances in Protein-Ligand Docking with Explicitly Specified Binding Site Flexibility.
Ravindranath PA; Forli S; Goodsell DS; Olson AJ; Sanner MF
PLoS Comput Biol; 2015 Dec; 11(12):e1004586. PubMed ID: 26629955
[TBL] [Abstract][Full Text] [Related]
29. 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]
30. 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]
31. Computational protein-ligand docking and virtual drug screening with the AutoDock suite.
Forli S; Huey R; Pique ME; Sanner MF; Goodsell DS; Olson AJ
Nat Protoc; 2016 May; 11(5):905-19. PubMed ID: 27077332
[TBL] [Abstract][Full Text] [Related]
32. Machine Learning to Predict Binding Affinity.
Bitencourt-Ferreira G; de Azevedo WF
Methods Mol Biol; 2019; 2053():251-273. PubMed ID: 31452110
[TBL] [Abstract][Full Text] [Related]
33. 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]
34. Protein-Ligand Docking in Drug Design: Performance Assessment and Binding-Pose Selection.
Ballante F
Methods Mol Biol; 2018; 1824():67-88. PubMed ID: 30039402
[TBL] [Abstract][Full Text] [Related]
35. Ligand-Receptor Interactions and Drug Design.
Syriopoulou A; Markopoulos I; Tzakos AG; Mavromoustakos T
Methods Mol Biol; 2021; 2266():89-104. PubMed ID: 33759122
[TBL] [Abstract][Full Text] [Related]
36. In silico fragment-based drug discovery: setup and validation of a fragment-to-lead computational protocol using S4MPLE.
Hoffer L; Renaud JP; Horvath D
J Chem Inf Model; 2013 Apr; 53(4):836-51. PubMed ID: 23537132
[TBL] [Abstract][Full Text] [Related]
37. Aromatic interactions at the ligand-protein interface: Implications for the development of docking scoring functions.
Brylinski M
Chem Biol Drug Des; 2018 Feb; 91(2):380-390. PubMed ID: 28816025
[TBL] [Abstract][Full Text] [Related]
38. PSOVina: The hybrid particle swarm optimization algorithm for protein-ligand docking.
Ng MC; Fong S; Siu SW
J Bioinform Comput Biol; 2015 Jun; 13(3):1541007. PubMed ID: 25800162
[TBL] [Abstract][Full Text] [Related]
39. Evaluation of Protein-Ligand Docking by Cyscore.
Cao Y; Dai W; Miao Z
Methods Mol Biol; 2018; 1762():233-243. PubMed ID: 29594775
[TBL] [Abstract][Full Text] [Related]
40. MDock: A Suite for Molecular Inverse Docking and Target Prediction.
Ma Z; Zou X
Methods Mol Biol; 2021; 2266():313-322. PubMed ID: 33759135
[TBL] [Abstract][Full Text] [Related]
[Previous] [Next] [New Search]
