Süleyman Selim ÇINAROĞLU
Mühendislik Fakültesi, Biyomühendislik Bölümü, Biyomühendislik Anabilim Dalı
Research areas: Atomic and Molecular Interactions, bioinformatics, Biological Modelling, Biomolecules, Physical Chemistry, Molecular Biophysics, Molecular Biochemistry, Protein Engineering, Structural Biophysics, Structural Biology
Publications
- Polypropylene Nanoplastic Exposure to Respiratory Epithelial Barrier‐On‐Chip and Interfacial Interactions With Human Serum Albumin (2026)
- Benchmarking docking protocols on predicting alternative binding modes (2026)
- Benchmarking Docking Protocols on Predicting Alternative Binding Modes (2026)
- Synthesis, antileukemic activity, and predicted ABL kinase binding dynamics of novel oleanolic acid derivatives in BCR::ABL-positive K562 cells (2026)
- Molecular Dynamics Simulations in Modern Medicinal Chemistry (2026)
- AI-enhanced adaptive virtual screening of large libraries for ligand discovery (2026)
- Partially Sulfated Pillar[5]Arenes: Synthesis and Molecular Recognition Properties (2025)
- Plasticity of the selectivity filter is essential for permeation in lysosomal TPC2 channels (2024)
- Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes (2024)
- Plasticity of the selectivity filter is essential for permeation in lysosomal TPC2 channels (2024)
- Plasticity of the selectivity filter is essential for permeation in lysosomal TPC2 channels (2024)
- Computational completion of the Aurora interaction region of N-Myc in the Aurora a kinase complex (2023)
- Computed Protein-Protein Enthalpy Signatures as a Tool for Identifying Conformation Sampling Problems (2023)
- The role of loop dynamics in the prediction of ligand-protein binding enthalpy (2023)
- A recursive molecular docking coupled with energy-based pose-rescoring and MD simulations to identify hsGC βH-NOX allosteric modulators for cardiovascular dysfunctions (2022)
- Molecular modelling of the FOXO4-TP53 interaction to design senolytic peptides for the elimination of senescent cancer cells (2021)
- Bridging the Bridging Imidazolate in the Bimetallic Center of the Cu/Zn SOD1 and ALS (2021)
- Virtualflow ants—ultra-large virtual screenings with artificial intelligence driven docking algorithm based on ant colony optimization (2021)
- Evaluating the performance of water models with host-guest force fields in binding enthalpy calculations for cucurbit[7]uril- guest systems (2021)
- Comprehensive evaluation of the MM-GBSA method on bromodomain-inhibitor sets (2020)
- Exploring the structural basis of conformational heterogeneity and autoinhibition of human cGMP-specific protein kinase Iα through computational modelling and molecular dynamics simulations (2020)
- Comparative Assessment of Seven Docking Programs on a Nonredundant Metalloprotein Subset of the PDBbind Refined (2019)
- Insights into an alternative benzofuran binding mode and novel scaffolds of polyketide synthase 13 inhibitors (2019)
- In silico identification of inhibitors targeting N-Terminal domain of human Replication Protein A (2019)
- An integrated approach towards the development of novel antifungal agents containing thiadiazole: Synthesis and a combined similarity search, homology modelling, molecular dynamics and molecular docking study (2018)