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Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method

Daisuke Takaya, Hideaki Niwa, Junko Mikuni, Kana Nakamura, N. Handa, Akiko Tanaka, Shigeyuki Yokoyama, Teruki Honma

2020Journal of Molecular Graphics and Modelling27 citationsDOI

Topics & Concepts

ChemistryFragment molecular orbitalLigand (biochemistry)Protein kinase AKinaseProtein Data Bank (RCSB PDB)BiochemistryMolecular orbitalReceptorMoleculeOrganic chemistryComputational Drug Discovery MethodsBioinformatics and Genomic NetworksEnzyme Structure and Function
Protein ligand interaction analysis against new CaMKK2 inhibitors by use of X-ray crystallography and the fragment molecular orbital (FMO) method | Litcius