Quick Guide to Autodock Vina in 20 MinutesNo theory, just hands-on guidance to do docking!

Поділитися
Вставка
  • Опубліковано 5 жов 2024
  • Molecular docking is a computational technique used in structural biology, bioinformatics, and drug discovery to predict the preferred orientation, conformation, and binding affinity of a ligand (small molecule) with a target macromolecule (typically a protein). The primary goal of molecular docking is to understand and predict the nature of the interaction between the ligand and the macromolecule, which can be crucial in drug design and other molecular recognition processes.
    1. AutoDock Vina
    vina.scripps.edu/
    2. Mgltools
    ccsb.scripps.e...
    3. BIOVIA Discovery Studio Visualizer
    discover.3ds.c...
    4. Open Babel
    sourceforge.ne...
    ********config file************
    receptor = .pdbqt
    ligand = .pdbqt
    center_x =
    center_y=
    center_z =
    size_x =
    size_y =
    size_z =
    energy_range = 4
    exhaustiveness = 8
    ***********************end***********************
    #ComputationalChemistry
    #SystemsBiology
    #MolecularModeling
    #ComputationalBiologySkills
    #BiologicalComputing
    #BioinformaticsInAction
    #TechInLifeSciences
    #ChemicalComputations
    #SystematicBiology
    #BiologyTech
    #ComputationalDrugDiscovery
    #BioTechComputing
    #ChemistryInSilico
    #SystemsApproach
    #BioInformaticTools
    #VirtualChemistry
    #ComputationInBiology
    #BiologicalSimulation
    #ChemistryExploration
    #SystemsThinking
    #BioinformaticsComputing
    #ComputationalTools
    #MolecularComputing
    #ChemicalSystems
    #BioInformaticsInnovation
    #ComputationalExperiments
    #IntegratedBiology
    #DigitalChemistry
    #ChemicalAnalysis
    #ComputationalInsights
    #SystemsAnalysis
    #BioinformaticsInsights
    #ChemistryTech
    #ComputationalBiophysics
    #BiologicalSystems
    #ChemistryInAction
    #ComputationalBiochemistry
    #SystemsBiologyApproach
    #BioinformaticsDiscovery
    #ChemicalInSilico
    #ComputationalSkillsInBiology
    #IntegratedComputations
    #MolecularSystems
    #ChemistryTechInnovation
    #BioInformaticComputations
    #ComputationalBiologyJourney
    #SystemsApproachToBiology
    #ChemistrySimulation
    #ComputationalChemistryTools
    #BiologicalComputations
    #SystemsBiologyInnovation
    #ChemicalBiology
    #ComputationalInsightsInBiology
    #BioInformaticsTools
    #ChemistryInnovation
    #ComputationalMolecularBiology
    #SystemsThinkingInBiology
    #ChemistryComputations
    #BioInformaticsExperiments
    #ComputationalBiologicalSystems
    #MolecularChemistry
    #ChemicalSystemsApproach
    #ComputationalBiologyTech
    #BioInformaticSkills
    #SystemsBiologyInsights
    #ChemistryInSilicoExperiments
    #ComputationalApproach
    #BiologicalChemistry
    #ChemicalSystemsAnalysis
    #BioinformaticsComputingTools
    #ComputationalChemistryInnovation
    #SystemsBiologyDiscovery
    #ChemistryTechSkills
    #ComputationalBiologyInsights
    #BioInformaticAnalysis
    #MolecularComputingInBiology
    #ChemicalSystemsThinking
    #ComputationalBiophysicalChemistry
    #IntegratedBioinformatics
    #BioInformaticInnovation
    #ChemistrySimulationExperiments
    #ComputationalSkillsInChemistry
    #BiologicalSystemsApproach
    #SystemsBiologyTech
    #BioinformaticsDiscoveryJourney
    #ChemistryTechInAction
    #ComputationalInsightsInChemistry
    #BioInformaticExperiments
    #SystemsApproachToChemistry
    #MolecularBiologyChemistry
    #ChemicalSystemsInnovation
    #ComputationalBioinformaticsSkills
    #BiologicalChemicalSystems
    #ChemistryInSilicoInnovation
    #ComputationalApproachInBiology
    #BioInformaticsTech
    #SystemsBiologyInnovationJourney
    #ChemistryTechInsights
    #ComputationalBiologyExperiments
    #IntegratedSystemsApproach

КОМЕНТАРІ • 9