The physical studies and interaction with anti-apoptotic proteins of 2-(bis(cyanomethyl)amino)-2-oxoethyl methacrylate molecule
Yazarlar (5)
Prof. Dr. Serap YALÇIN AZARKAN Kırşehir Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Emine BABUR ŞAŞ Kırşehir Ahi Evran Üniversitesi, Türkiye
N. Cankaya
Prof. Dr. Fahriye ERCAN Kırşehir Ahi Evran Üniversitesi, Türkiye
M. Kurt
Makale Türü Açık Erişim Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı Condensed Matter Physics (Q4)
Dergi ISSN 1607-324X Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Expanded
Makale Dili İngilizce Basım Tarihi 09-2019
Cilt / Sayı / Sayfa 22 / 3 / 33301–0 DOI 10.5488/CMP.22.33301
Makale Linki http://www.icmp.lviv.ua/journal/zbirnyk.99/33301/abstract.html
Özet
In this work 2-(bis(cyanomethyl)amino)-2-oxoethyl methacrylate (CMA2OEM) molecule has been characterized theoretically. First, the potential energy surface has been calculated to find the lowest energy state of the molecule. After the most stable state of the molecule, Mulliken atomic charge and nonlinear-optical properties were investigated. Also...
Anahtar Kelimeler
Anti-apoptotic | CMA2OEM | Molecular docking | Mulliken atomic charge | Nonlinear-optical properties