These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
5. 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]
6. AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings. Eberhardt J; Santos-Martins D; Tillack AF; Forli S J Chem Inf Model; 2021 Aug; 61(8):3891-3898. PubMed ID: 34278794 [TBL] [Abstract][Full Text] [Related]
7. 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]
8. 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]
9. 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]
10. 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]
11. Caffeic Acid in Spent Coffee Grounds as a Dual Inhibitor for MMP-9 and DPP-4 Enzymes. Istyastono EP; Yuniarti N; Prasasty VD; Mungkasi S; Waskitha SSW; Yanuar MRS; Riswanto FDO Molecules; 2023 Oct; 28(20):. PubMed ID: 37894660 [TBL] [Abstract][Full Text] [Related]
12. 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]
14. 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]
15. Webina: an open-source library and web app that runs AutoDock Vina entirely in the web browser. Kochnev Y; Hellemann E; Cassidy KC; Durrant JD Bioinformatics; 2020 Aug; 36(16):4513-4515. PubMed ID: 32559277 [TBL] [Abstract][Full Text] [Related]
16. 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]
17. Vinardo: A Scoring Function Based on Autodock Vina Improves Scoring, Docking, and Virtual Screening. Quiroga R; Villarreal MA PLoS One; 2016; 11(5):e0155183. PubMed ID: 27171006 [TBL] [Abstract][Full Text] [Related]
18. Computational insight into the phthalocyanine-DNA binding via docking and molecular dynamics simulations. Ozalp L; Sağ Erdem S; Yüce-Dursun B; Mutlu Ö; Özbil M Comput Biol Chem; 2018 Dec; 77():87-96. PubMed ID: 30245350 [TBL] [Abstract][Full Text] [Related]
19. 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]
20. 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] [Next] [New Search]