AutoDock Vina software
AutoDock Vina is a software tool for predicting the binding affinity and conformation of small molecules to a target protein. It is designed to accurately and efficiently predict how small molecules, such as drug candidates, might bind to a protein of known three-dimensional structure.
Lab products found in correlation
142 protocols using AutoDock Vina software
Molecular Docking of HVGGSSV Peptide to TIP1
Molecular Docking of Bioactive Compounds
Predicting Epitope-Allele Interactions
Molecular Docking Analysis of Compounds
Molecular Docking Analysis of Ferulic Acid Interactions
Molecular Docking of Ketamine with Key Proteins
Structural Modeling and Docking of EcolC_1642
37 (link), using the PSIPRED program
38 (link) to help validate the secondary structure. Subsequently, the top‐scoring model was submitted to the GalaxyRefine server (
39 (link) for rebuilding and repacking the side chain as well as suffering an overall structure relaxation by molecular dynamics simulation. Molecular docking was performed using Autodock Vina software (v1.1.2)
40 (link). Ligand D‐xylose and D‐glucose structure were retrieved from the ZINC site (
41 (link). Proteins and ligand structures were prepared for docking by using Autodock Tools v1.5.4 (grid box was set to 20 × 20 × 20 Å). All of the structures were visualized and manipulated using UCSF Chimera (v1.13.1)
42 (link).
Molecular Docking of COVID-19 Compounds
Molecular Docking Study of Resveratrol
Molecular Docking of pBthTX-I Peptide to SARS-CoV-2 PLpro
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