190 related articles for article (PubMed ID: 36764832)
1. Dockey: a modern integrated tool for large-scale molecular docking and virtual screening.
Du L; Geng C; Zeng Q; Huang T; Tang J; Chu Y; Zhao K
Brief Bioinform; 2023 Mar; 24(2):. PubMed ID: 36764832
[TBL] [Abstract][Full Text] [Related]
2. Vina-GPU 2.0: Further Accelerating AutoDock Vina and Its Derivatives with Graphics Processing Units.
Ding J; Tang S; Mei Z; Wang L; Huang Q; Hu H; Ling M; Wu J
J Chem Inf Model; 2023 Apr; 63(7):1982-1998. PubMed ID: 36941232
[TBL] [Abstract][Full Text] [Related]
3. DockingApp: a user friendly interface for facilitated docking simulations with AutoDock Vina.
Di Muzio E; Toti D; Polticelli F
J Comput Aided Mol Des; 2017 Feb; 31(2):213-218. PubMed ID: 28063067
[TBL] [Abstract][Full Text] [Related]
4. BioProtIS: Streamlining protein-ligand interaction pipeline for analysis in genomic and transcriptomic exploration.
Virgens GS; Oliveira J; Cardoso MIO; Teodoro JA; Amaral DT
J Mol Graph Model; 2024 May; 128():108721. PubMed ID: 38308972
[TBL] [Abstract][Full Text] [Related]
5. Applications of the NRGsuite and the Molecular Docking Software FlexAID in Computational Drug Discovery and Design.
Morency LP; Gaudreault F; Najmanovich R
Methods Mol Biol; 2018; 1762():367-388. PubMed ID: 29594781
[TBL] [Abstract][Full Text] [Related]
6. InstaDock: A single-click graphical user interface for molecular docking-based virtual high-throughput screening.
Mohammad T; Mathur Y; Hassan MI
Brief Bioinform; 2021 Jul; 22(4):. PubMed ID: 33105480
[TBL] [Abstract][Full Text] [Related]
7. AMDock: a versatile graphical tool for assisting molecular docking with Autodock Vina and Autodock4.
Valdés-Tresanco MS; Valdés-Tresanco ME; Valiente PA; Moreno E
Biol Direct; 2020 Sep; 15(1):12. PubMed ID: 32938494
[TBL] [Abstract][Full Text] [Related]
8. 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]
9. 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]
10. POAP: A GNU parallel based multithreaded pipeline of open babel and AutoDock suite for boosted high throughput virtual screening.
Samdani A; Vetrivel U
Comput Biol Chem; 2018 Jun; 74():39-48. PubMed ID: 29533817
[TBL] [Abstract][Full Text] [Related]
11. MSLDOCK: Multi-Swarm Optimization for Flexible Ligand Docking and Virtual Screening.
Li C; Sun J; Palade V
J Chem Inf Model; 2021 Mar; 61(3):1500-1515. PubMed ID: 33657798
[TBL] [Abstract][Full Text] [Related]
12. Streamlining Large Chemical Library Docking with Artificial Intelligence: the PyRMD2Dock Approach.
Roggia M; Natale B; Amendola G; Di Maro S; Cosconati S
J Chem Inf Model; 2024 Apr; 64(7):2143-2149. PubMed ID: 37552222
[TBL] [Abstract][Full Text] [Related]
13. Toward fully automated high performance computing drug discovery: a massively parallel virtual screening pipeline for docking and molecular mechanics/generalized Born surface area rescoring to improve enrichment.
Zhang X; Wong SE; Lightstone FC
J Chem Inf Model; 2014 Jan; 54(1):324-37. PubMed ID: 24358939
[TBL] [Abstract][Full Text] [Related]
14. FReDoWS: a method to automate molecular docking simulations with explicit receptor flexibility and snapshots selection.
Machado KS; Schroeder EK; Ruiz DD; Cohen EM; de Souza ON
BMC Genomics; 2011 Dec; 12 Suppl 4(Suppl 4):S6. PubMed ID: 22369186
[TBL] [Abstract][Full Text] [Related]
15. MAGI-Dock: a PyMOL companion to Autodock Vina.
Kaftalli J; Bernini A; Bonetti G; Cristoni S; Marceddu G; Bertelli M
Eur Rev Med Pharmacol Sci; 2023 Dec; 27(6 Suppl):148-151. PubMed ID: 38112955
[TBL] [Abstract][Full Text] [Related]
16. 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]
17. Accelerating AutoDock Vina with GPUs.
Tang S; Chen R; Lin M; Lin Q; Zhu Y; Ding J; Hu H; Ling M; Wu J
Molecules; 2022 May; 27(9):. PubMed ID: 35566391
[TBL] [Abstract][Full Text] [Related]
18. Boosting Docking-Based Virtual Screening with Deep Learning.
Pereira JC; Caffarena ER; Dos Santos CN
J Chem Inf Model; 2016 Dec; 56(12):2495-2506. PubMed ID: 28024405
[TBL] [Abstract][Full Text] [Related]
19. pso@autodock: a fast flexible molecular docking program based on Swarm intelligence.
Namasivayam V; Günther R
Chem Biol Drug Des; 2007 Dec; 70(6):475-84. PubMed ID: 17986206
[TBL] [Abstract][Full Text] [Related]
20. DOVIS: an implementation for high-throughput virtual screening using AutoDock.
Zhang S; Kumar K; Jiang X; Wallqvist A; Reifman J
BMC Bioinformatics; 2008 Feb; 9():126. PubMed ID: 18304355
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]