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Predicting the structure and energetics of protein-ligand interaction
(University of Missouri--Columbia, 2019)
Molecular docking has been a crucial component and remains a highly active area in computer-aided drug design (CADD). In simple terms, molecular docking uses computer algorithms to identify the "best" match between two ...
Exploring defects and induced magnetism in epitaxial graphene films
(University of Missouri--Columbia, 2019)
Graphene has been demonstrated to have unique properties not only in its virgin state but also by altering its environment through rotations in bilayer graphene, doping, and creating heterostructures with other 2D materials, ...