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docking protocol autodock vina 1.1 (AUTODOCK GmbH)

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AUTODOCK GmbH docking protocol autodock vina 1.1
Docking Protocol Autodock Vina 1.1, supplied by AUTODOCK GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/docking+protocol+autodock+vina/autodock+vina/pm39787914-52-16-16
Average 90 stars, based on 1 article reviews

docking protocol autodock vina 1.1 - by Bioz Stars, 2026-10

90/100 stars

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Binding Assay:

Article Title: Employing Hexahydroquinolines as Pf CDPK4 Inhibitors to Combat Malaria Transmission: An Advanced Computational Approach
Article Snippet: .. Before the virtual screening, the docking protocol was validated by re-docking the co-crystallized ligand, DXR, into the binding pocket of the active site of 4QOX structure using Autodock vina., The docked coligand-protein complex was aligned to that of the native coligand-protein complex to obtain the root-mean-square distance (RMSD) value. ..

other:

Article Title: Identification of new NIK inhibitors by discriminatory analysis-based molecular docking and biological evaluation.
Article Snippet: College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, People’s Republic of China College of Pharmaceutical Science, Zhejiang Chinese Medical University, Hangzhou, People’s Republic of China Translational Medicine Research Center, Affiliated Hangzhou First People’s Hospital, Zhejiang University School of Medicine, Hangzhou, Zhejiang, People’s Republic of China State Key Laboratory of Drug Research, National Center for Drug Screening, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, China

Article Title: Searching for New Leads To Treat Epilepsy: Target-Based Virtual Screening for the Discovery of Anticonvulsant Agents.
Article Snippet: In this investigation we used our best docking protocol (Autodock Vina, flexible docking) 43 to simulate the interaction of a new test set into the crystal structures of Szewczyk and coworkers (PDB codes 4Q9I, 4Q9J, 4Q9K and 4Q9L).

Article Title: Hits Discovery on the Androgen Receptor: In Silico Approaches to Identify Agonist Compounds
Article Snippet: The docking protocol can be applied as described with the retained docking protocol (AutoDock VINA with an ensemble of at least two structures, favoring the following ensemble: 2piq, 2pip and 2amb) and default parameters, while the coordinates of the retained pharmacophore models are given in .

Selection:

Article Title: Artificial Intelligence-Driven Assessment of Aromadendrin as Casein-KinaseInhibitor against Cholangiocarcinoma
Article Snippet: .. It includes the docking protocol based on user defined selection of AutoDock Vina, and AutoDock-GPU docking engines15. ( http://cadd.zju.edu.cn/fastdrh/overview) ..

Article Title: Computational quest, synthesis and anticancer profiling of 3-methyl quinoxaline-2-one-based active hits against the tyrosine kinase
Article Snippet: .. It includes the docking protocol based on user-defined selection of AutoDock Vina and AutoDock-GPU docking engines (http:// cadd. zju. edu. cn/ fastd rh/ overv iew). ..