TEXTAL: AI-Based Structural Determination for X-ray Protein Crystallography
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TEXTAL, a successfully deployed system, for the AI-based structural determination for X-ray protein crystallography, is discussed. TEXTAL begins with either an electron density map or structural factors as input, along with an amino acid sequence and information about the symmetry of the crystal used. It outputs a Protein Data Bank file containing the solution structure. TEXTAL combines AI, pattern matching, and non-AI methods into three principal phases that mimic how a human crystallographer would solve an unknown structure. The future plans for TEXTAL include expanding the range of resolutions for which it's optimized by constructing different databases and neural networks and selecting the appropriate database depending on the data.
author list (cited authors)
Romo, T., Gopal, K., McKee, E., Kanbi, L., Reetal Pai, .., Smith, J., Sacchettini, J., & Ioerger, T.
complete list of authors
Romo, T||Gopal, K||McKee, E||Kanbi, L||Smith, J||Sacchettini, J||Ioerger, T