TEXTAL: Al-based structural determination for X-ray protein crystallography

abstract

• 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.

authors

• Ioerger, Thomas
• Sacchettini, James

published proceedings

• IEEE INTELLIGENT SYSTEMS

author list (cited authors)

• Romo, T., Gopal, K., McKee, E., Kanbi, L., Pai, R., Smith, J., Sacchettini, J., & Ioerger, T.

citation count

• 3

complete list of authors

• Romo, T||Gopal, K||McKee, E||Kanbi, L||Pai, R||Smith, J||Sacchettini, J||Ioerger, T

publication date

• November 2005

publisher

• Institute of Electrical and Electronics Engineers (IEEE)  Publisher

published in

• IEEE Intelligent Systems  Journal

keywords

• 46 Information And Computing Sciences

Digital Object Identifier (DOI)

• 10.1109/MIS.2005.114

start page

• 59

end page

• 63

volume

• 20

issue

• 6

URL

• http://dx.doi.org/10.1109/mis.2005.114