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Computational evaluation of the reactivity and pharmaceutical potential of an organic amine: A DFT, molecular dynamics simulations and molecular docking approach
| Title: | Computational evaluation of the reactivity and pharmaceutical potential of an organic amine: A DFT, molecular dynamics simulations and molecular docking approach | Authors: | Abraham, Christina Susan; Muthu, S.; Prasana, Johanan Christian; Armaković, Stevan |
Issue Date: | 2019 | Publication: | Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy | ISSN: | 1386-1425 Spectrochimica Acta. Part A: Molecular and Biomolecular Spectroscopy Search Idenfier |
Type: | Article | Collation: | vol. 222 str. 117188-117188 | DOI: | 10.1016/j.saa.2019.117188 | WoS-ID: | 000482215100027 | Scopus-ID: | 2-s2.0-85066738953 | PMID: | 31176999 | PMCID: | PMC7108230 | URI: | https://enauka.gov.rs/handle/123456789/307934 https://www.cris.uns.ac.rs/record.jsf?recordId=112952&source=eNauka&language=en |
Metadata source: | Migracija | M-category: | 21M21 |
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