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An application of CIFAP for predicting the binding affinity of Chk1 inhibitors derived from 2-aminothiazole-4-carboxamide
Konyar, Dilan; Erdaş, Özlem; Alpaslan, Ferda Nur; Büyükbingol, Erdem (Wiley, 2017)Investigation of protein-ligand interactions obtained from experiments has a crucial part in the design of newly discovered and effective drugs. Analyzing the data extracted from known interactions could help scientists ... -
Three-dimensional analysis of binding sites for predicting binding affinities in drug design
Erdaş Çicek, Özlem; Ataç, Ali Osman; Gürkan Alp, A. Selen; Büyükbingol, Erdem; Alpaslan, Ferda Nur (Amer Chemical Soc, 2019)Understanding the interaction between drug molecules and proteins is one of the main challenges in drug design. Several tools have been developed recently to decrease the complexity of the process. Artificial intelligence ...