Identification of novel CA IX inhibitor: Pharmacophore modeling, docking, DFT, and dynamic simulation

Autor: Packiapalavesam, Shakthi Devi, Saravanan, Venkatesan, Mahajan, Anand A., Almutairi, Mikhlid H., Almutairi, Bader O., Arockiaraj, Jesu, Kathiravan, Muthu Kumaradoss, Karthick Raja Namasivayam, S.
Zdroj: In Computational Biology and Chemistry June 2024 110
Databáze: ScienceDirect