Bulletin of the American Physical Society
22nd Annual Meeting of the APS Northwest Section
Volume 67, Number 5
Friday–Saturday, June 3–4, 2022; Thompson Rivers University, Kamloops, British Columbia, Canada
Session H01: Poster Session (3:30-5:00pm, PT)
3:30 PM,
Friday, June 3, 2022
Abstract: H01.00011 : Study on Nanomaterials to Reduce Reactive Oxygen Species for the Treatment of Tumor Cells
Presenter:
Richard Kyung
(CRG-NJ)
Authors:
Jayden Choi
(CRG-NJ)
Richard Kyung
(CRG-NJ)
In this paper, open-source molecular editing programs with an auto-optimization feature that is able to calculate the theoretical values of a molecule’s physicochemical properties are used to model the compounds. The program enables us to build virtually any biochemical compounds and will find the thermodynamic stability which can be assessed by optimal energy(kJ/mol) and the activity of the compounds is determined by the values of Dipole Moment(DM, Debye) and Electrostatic potential maps(EPMs).
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