Zobrazeno 1 - 2
of 2
pro vyhledávání: '"Shaurya Swami"'
Autor:
Julia Perdrial, Donna Rizzo, Kristen Underwood, Shaurya Swami, Byung Lee, Ijaz Ul Haq, Dustin Kincaid, Bryn Stewart, Erin Seybold, Li Li, Scott Hamshaw, James Shanley
Publikováno v:
Goldschmidt2022 abstracts.
Publikováno v:
Journal of molecular modeling. 27(6)
Density functional theory methods have been applied to understand binding of (s)-propranolol, a template, to a methacrylic acid molecule acting as a functional monomer using basic 1:1 model. The model has been expanded to study the effect of various