AbMelt: Learning antibody thermostability from molecular dynamics
Zachary A. Rollins, Talal Widatalla, Alan C. Cheng, Essam Metwally
Topics & Concepts
ThermostabilityMolecular dynamicsRadius of gyrationRobustness (evolution)Artificial intelligenceMolecular descriptorComplementarity (molecular biology)Computer scienceChemistryBiological systemMathematicsMachine learningPolymerQuantitative structure–activity relationshipBiologyComputational chemistryBiochemistryGeneticsGeneOrganic chemistryEnzymeMonoclonal and Polyclonal Antibodies ResearchProtein Structure and DynamicsProtein purification and stability