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Items: 5

1.

Finding Needles in a Haystack: Determining Key Molecular Descriptors Associated with the Blood-brain Barrier Entry of Chemical Compounds Using Machine Learning.

Majumdar S, Basak SC, Lungu CN, Diudea MV, Grunwald GD.

Mol Inform. 2019 Jul 19. doi: 10.1002/minf.201800164. [Epub ahead of print]

PMID:
31322827
2.

Hybrid imidazole-pyridine derivatives: an approach to novel anticancer DNA intercalators.

Lungu CN, Bratanovici BI, Mirabela GM, Antoci V, Mangalagiu II.

Curr Med Chem. 2018 Dec 19. doi: 10.2174/0929867326666181220094229. [Epub ahead of print]

PMID:
30569842
3.

Binding Site and Potency Prediction of Teixobactin and other Lipid II Ligands by Statistical Base Scoring of Conformational Space Maps.

Lungu CN, Diudea MV.

Curr Comput Aided Drug Des. 2018;14(1):29-34. doi: 10.2174/1573409913666170927113813.

PMID:
28969532
4.

Ligand Shaping in Induced Fit Docking of MraY Inhibitors. Polynomial Discriminant and Laplacian Operator as Biological Activity Descriptors.

Lungu CN, Diudea MV, Putz MV.

Int J Mol Sci. 2017 Jun 27;18(7). pii: E1377. doi: 10.3390/ijms18071377.

5.

Linear and Branched PEIs (Polyethylenimines) and Their Property Space.

Lungu CN, Diudea MV, Putz MV, GrudziƄski IP.

Int J Mol Sci. 2016 Apr 13;17(4):555. doi: 10.3390/ijms17040555.

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