Computer-aided drug design

por Ece, Abdulilah
Publicado 2023

Design, Synthesis, and Evaluation of a New Series of Hydrazones as Small-Molecule Akt Inhibitors for NSCLC Therapy

por Erdönmez, Burak, Altıntop, Mehlika Dilek, Akalın Çiftçi, Gülşen, Özdemir, Ahmet, Ece, Abdulilah
Publicado 2023

Bioactive indanes: insight into the bioactivity of indane dimers related to the lead anti-inflammatory molecule PH46A

por Chan, Kit, Frankish, Neil, Zhang, Tao, Ece, Abdulilah, Cannon, Aoife, O'Sullivan, Jacintha, Sheridan, Helen
Publicado 2020

An integrated approach towards the development of novel antifungal agents containing thiadiazole: synthesis and a combined similarity search, homology modelling, molecular dynamics...

por Er, Mustafa, Abounakhla, Abdulati Miftah, Tahtaci, Hakan, Bawah, Ali Hasin, Çınaroğlu, Süleyman Selim, Onaran, Abdurrahman, Ece, Abdulilah
Publicado 2018

Indane Based Molecular Motors: UV-Switching Increases Number of Isomers

por Shendrikov, Valeriy P., Alekseeva, Anna S., Kot, Erik F., Mineev, Konstantin S., Tretiakova, Daria S., Ece, Abdulilah, Boldyrev, Ivan A.
Publicado 2022

Design, synthesis and molecular modelling studies of some pyrazole derivatives as carbonic anhydrase inhibitors

por Dizdaroglu, Yazgı, Albay, Canan, Arslan, Tayfun, Ece, Abdulilah, Turkoglu, Emir A., Efe, Asiye, Senturk, Murat, Supuran, Claudiu T., Ekinci, Deniz
Publicado 2019

Exploring the structural basis of conformational heterogeneity and autoinhibition of human cGMP-specific protein kinase Iα through computational modelling and molecular dynamics si...

por Maryam, Arooma, Khalid, Rana Rehan, Vedithi, Sundeep Chaitanya, ECE, Abdulilah, Çınaroğlu, Suleyman Selim, Siddiqi, Abdul Rauf, Blundell, Tom L.
Publicado 2020

Structural Characterization of TRAF6 N-Terminal for Therapeutic Uses and Computational Studies on New Derivatives

por Guven, Omur, Sever, Belgin, Başoğlu-Ünal, Faika, Ece, Abdulilah, Tateishi, Hiroshi, Koga, Ryoko, Radwan, Mohamed O., Demir, Nefise, Can, Mustafa, Dilsiz Aytemir, Mutlu, Inoue, Jun-ichiro, Otsuka, Masami, Fujita, Mikako, Ciftci, Halilibrahim, DeMirci, Hasan
Publicado 2023