The role of loop dynamics in the prediction of ligand–protein binding enthalpy

por Çınaroğlu, Süleyman Selim, Biggin, Philip C.
Publicado 2023

Computed Protein–Protein Enthalpy Signatures as a Tool for Identifying Conformation Sampling Problems

por Çınaroğlu, Süleyman Selim, Biggin, Philip C.
Publicado 2023

Computational completion of the Aurora interaction region of N-Myc in the Aurora a kinase complex

por Altiner, Pinar, Çınaroğlu, Süleyman Selim, Timucin, Ahmet Can, Timucin, Emel
Publicado 2023

Bridging the Bridging Imidazolate in the Bimetallic Center of the Cu/Zn SOD1 and ALS

por Timucin, Ahmet Can, Cinaroglu, Suleyman Selim, Sezerman, Osman Ugur, Timucin, Emel
Publicado 2021

VirtualFlow Ants—Ultra-Large Virtual Screenings with Artificial Intelligence Driven Docking Algorithm Based on Ant Colony Optimization

por Gorgulla, Christoph, Çınaroğlu, Süleyman Selim, Fischer, Patrick D., Fackeldey, Konstantin, Wagner, Gerhard, Arthanari, Haribabu
Publicado 2021

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

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

Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors

por Nigam, AkshatKumar, Hurley, Matthew F. D., Li, Fengling, Konkoǐová, Eva, Klíma, Martin, Trylčová, Jana, Pollice, Robert, Çinaroǧlu, Süleyman Selim, Levin-Konigsberg, Roni, Handjaya, Jasemine, Schapira, Matthieu, Chau, Irene, Perveen, Sumera, Ng, Ho-Leung, Ümit Kaniskan, H., Han, Yulin, Singh, Sukrit, Gorgulla, Christoph, Kundaje, Anshul, Jin, Jian, Voelz, Vincent A., Weber, Jan, Nencka, Radim, Boura, Evzen, Vedadi, Masoud, Aspuru-Guzik, Alán
Publicado 2023