Interpretable molecular models for molybdenum disulfide and insight into selective peptide recognition
Juan Liu, Jin Zeng, Cheng Zhu, Jianwei Miao, Yu Huang, Hendrik Heinz
Abstract
-based nanomaterials and electrolyte interfaces up to a billion atoms with high accuracy, including multiscale simulations from the quantum scale to the microscale.
Topics & Concepts
Molybdenum disulfideDisulfide bondMolybdenumPeptideMolecular recognitionChemistryCombinatorial chemistryComputational biologyBiochemistryMaterials scienceBiologyMoleculeOrganic chemistryMetallurgyPolyoxometalates: Synthesis and ApplicationsAdvanced biosensing and bioanalysis techniquesMachine Learning in Materials Science