Identification of novel hit molecules targeting M. tuberculosis polyketide synthase 13 by combining generative AI and physics-based methods
Rupesh V. Chikhale, Rinku Choudhary, Jagriti Malhotra, Gaber E. Eldesoky, Parth Mangal, Pritee Chunarkar Patil
Topics & Concepts
Identification (biology)Generative grammarPolyketidePolyketide synthaseComputational biologyGenerative modelTuberculosisComputer scienceArtificial intelligenceChemistryBiologyBiochemistryMedicineBiosynthesisEnzymeBotanyPathologyMicrobial Natural Products and Biosynthesisvaccines and immunoinformatics approachesTuberculosis Research and Epidemiology