Utilizing Heteroatom Types and Numbers from Extensive Ligand Libraries to Develop Novel hERG Blocker QSAR Models Using Machine Learning-Based Classifiers

por Haddad, Safa, Oktay, Lalehan, Erol, Ismail, Şahin, Kader, Durdagi, Serdar
Publicado 2023

Binary-QSAR guided virtual screening of FDA approved drugs and compounds in clinical investigation against SARS-CoV-2 main protease

por OKTAY, Lalehan, ERDEMOĞLU, Ece, TOLU, İlayda, YUMAK, Yeşim, ÖZCAN, Ayşenur, ACAR, Elif, BÜYÜKKILIÇ, Şehriban, OLKAN, Alpsu, DURDAĞI, Serdar
Publicado 2021

The neutralization effect of montelukast on SARS-CoV-2 is shown by multiscale in silico simulations and combined in vitro studies

por Durdagi, Serdar, Avsar, Timucin, Orhan, Muge Didem, Serhatli, Muge, Balcioglu, Bertan Koray, Ozturk, Hasan Umit, Kayabolen, Alisan, Cetin, Yuksel, Aydinlik, Seyma, Bagci-Onder, Tugba, Tekin, Saban, Demirci, Hasan, Guzel, Mustafa, Akdemir, Atilla, Calis, Seyma, Oktay, Lalehan, Tolu, Ilayda, Butun, Yasar Enes, Erdemoglu, Ece, Olkan, Alpsu, Tokay, Nurettin, Işık, Şeyma, Ozcan, Aysenur, Acar, Elif, Buyukkilic, Sehriban, Yumak, Yesim
Publicado 2022

Near-physiological-temperature serial crystallography reveals conformations of SARS-CoV-2 main protease active site for improved drug repurposing

por Durdagi, Serdar, Dağ, Çağdaş, Dogan, Berna, Yigin, Merve, Avsar, Timucin, Buyukdag, Cengizhan, Erol, Ismail, Ertem, Fatma Betul, Calis, Seyma, Yildirim, Gunseli, Orhan, Muge D., Guven, Omur, Aksoydan, Busecan, Destan, Ebru, Sahin, Kader, Besler, Sabri O., Oktay, Lalehan, Shafiei, Alaleh, Tolu, Ilayda, Ayan, Esra, Yuksel, Busra, Peksen, Ayse B., Gocenler, Oktay, Yucel, Ali D., Can, Ozgur, Ozabrahamyan, Serena, Olkan, Alpsu, Erdemoglu, Ece, Aksit, Fulya, Tanisali, Gokhan, Yefanov, Oleksandr M., Barty, Anton, Tolstikova, Alexandra, Ketawala, Gihan K., Botha, Sabine, Dao, E. Han, Hayes, Brandon, Liang, Mengning, Seaberg, Matthew H., Hunter, Mark S., Batyuk, Alex, Mariani, Valerio, Su, Zhen, Poitevin, Frederic, Yoon, Chun Hong, Kupitz, Christopher, Sierra, Raymond G., Snell, Edward H., DeMirci, Hasan
Publicado 2021