A geometric deep learning approach to predict binding conformations of bioactive molecules
Oscar Méndez‐Lucio, Mazen Ahmad, Ehecatl Antonio del Rio‐Chanona, Jörg K. Wegner
Topics & Concepts
Computer scienceArtificial intelligenceDeep learningMachine learningKey (lock)Drug targetTask (project management)ChemistryEngineeringSystems engineeringComputer securityBiochemistryComputational Drug Discovery Methodsvaccines and immunoinformatics approachesMicrobial Natural Products and Biosynthesis