The impact of library size and scale of testing on virtual screening
Fangyu Liu, Olivier Mailhot, Isabella Glenn, Seth F. Vigneron, Violla Bassim, Xinyu Xu, Karla Fonseca-Valencia, Matthew S. Smith, Dmytro S. Radchenko, James S. Fraser, Yurii S. Moroz, John J. Irwin, Brian K. Shoichet
Topics & Concepts
Virtual screeningDocking (animal)Small moleculeComputational biologyDrug discoveryPotencyChemical libraryChemistryMoleculeComputer scienceCombinatorial chemistryStereochemistryBiologyBiochemistryIn vitroMedicineOrganic chemistryNursingComputational Drug Discovery MethodsClick Chemistry and Applicationsvaccines and immunoinformatics approaches