Browsing by Author "Yakoub Hassan Hameduh, Tareq"
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Homology modeling in the time of collective and artificial intelligence
Yakoub Hassan Hameduh, Tareq; Haddad, Yazan Abdulmajeed Eyadh; Adam, Vojtěch; Heger, Zbyněk (Elsevier Science BV, 2020)Homology modeling is a method for building protein 3D structures using protein primary sequence and utilizing prior knowledge gained from structural similarities with other proteins. The homology modeling process is done ... -
The proteomic code: Novel amino acid residue pairing models “encode” protein folding and protein-protein interactions
Yakoub Hassan Hameduh, Tareq; Miller, Andrew David; Heger, Zbyněk; Haddad, Yazan Abdulmajeed Eyadh (Elsevier Science Ltd., 2025)Recent advances in protein 3D structure prediction using deep learning have focused on the importance of amino acid residue-residue connections (i.e., pairwise atomic contacts) for accuracy at the expense of mechanistic ... -
Solvent Accessibility Promotes Rotamer Errors during Protein Modeling with Major Side-Chain Prediction Programs
Yakoub Hassan Hameduh, Tareq; Mokrý, Michal; Miller, Andrew David; Heger, Zbyněk; Haddad, Yazan Abdulmajeed Eyadh (American Chemical Society, 2023)Side-chain rotamer prediction is one of the most critical late stages in protein 3D structure building. Highly advanced and specialized algorithms (e.g., FASPR, RASP, SCWRL4, and SCWRL4v) optimize this process by use of ...