Vina v1
AutoDock Vina v1.1.2 is a molecular docking software tool used for predicting the binding of ligands to protein targets. It is designed to predict the most stable binding configuration between a ligand and a target protein. The software utilizes a gradient-based local search algorithm to optimize the ligand binding pose, and it supports a variety of input file formats including PDB and PDBQT.
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73 protocols using vina v1
Molecular Docking of COVID-19 Targets
Molecular Docking of C. perfringens ColA
Protein and ligand structures were protonated according to the physiological pH (7.4). Conformations of the screened ligands were generated using DataWarrior 5.2.1 [32 (link)] and were minimized with MMFF94s+ forcefield. A total of 12 docking runs was performed for each compound and the results were retrieved as the binding energy (ΔG, kcal/mol) and ligand efficiency (ΔG\no. of heavy atoms). Molecular interactions and binding poses were analyzed using BIOVIA Discovery Studio Visualizer (BIOVIA, Discovery Studio Visualizer, Version 17.2.0, Dassault Systèmes, 2016, San Diego, CA, USA).
Molecular Docking of Emodin with SARS-CoV-2 Targets
Molecular Docking of Imidazole and Sfβgly
The crystallographic structures of the β‐glucosidases from Neotermes koshunensis and Paenibacillus polymyxa (PDB ID
Molecular Docking of Bio-Active Compounds
Molecular Docking Analysis of MtGST Proteins
Docking Simulation of cAMP-bound SmPDE4A_CD
Zebrafish BMP1 Docking Study
Structural Modeling of LMO4-Peptide Complexes
Computational Docking of Inflammatory Targets
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