Serdar Durdağı

This study identifies RUBCN variants in neurodevelopmental disorders and shows they cause autophagy overdrive, leading to neurodegeneration.

The paper introduces MolCodon, a codon-based molecular language that provides high-fidelity, interpretable, and alignment-compatible sequence representations for small molecules, outperforming existing methods in various tasks.

TwinSAR detects chemical twins using stoichiometric analysis, improving virtual screening by identifying structurally diverse but compositionally similar compounds.

This study identifies small molecules that inhibit c-MET activity by targeting its extracellular domain, showing reduced cell viability and autophosphorylation in HCC cells.

DRGSCROLL improves docking simulations by optimizing ligand pose and receptor side-chain flexibility using a genetic algorithm, showing better performance in energy and docking scores compared to existing methods.

This study identifies potential USP7 inhibitors through virtual screening and molecular simulations, finding 12 compounds with favorable binding and anticancer activity.

The paper uses steered MD simulations to screen small molecules targeting MKK3-MYC interactions, identifying compounds with promising binding affinities.

This study develops ML-based QSAR models to screen small molecule libraries for novel anti-cancer therapeutics targeting IDH1 mutant receptors in glioblastoma.

This study uses NeuralPlexer to identify FDA-approved BCL2 inhibitors through in silico analysis, finding candidates like Lathyrol and Fadrozole with potent inhibitory interactions.

The paper identifies miR-135b as a differentially expressed miRNA in colorectal cancer and models small molecule ligands targeting its Dicer cleavage site using computational methods.

This study develops machine learning-based QSAR models to identify key heteroatoms in hERG blockers using ligand libraries and validates findings with molecular docking and simulations.

This study demonstrates a high-throughput drug screening protocol using serial femtosecond X-ray crystallography for SARS-CoV-2 main protease, achieving 120 images/second with a new detector.

The paper characterizes the structure and function of AstR-C in T.pit, identifying Q2716.55 as critical for G protein-dependent activation.

The paper develops small molecule inhibitors of MEIS1 that modulate HSC activity and show efficacy in vitro and in vivo.