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Updated: Jul 5, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
Published on: June 6, 2025
LORE: exploiting database of known structures
1Pharmacia and Upjohn, Kalamazoo, Michigan 49007, USA.
Abstract:
The collection of known protein structures contains a wealth of information, not only about small building blocks of proteins, but also about the way these elements assemble in real structures. Both types of information can be valuable to the modeler or crystallographer. With the software known as LORE, we provide substructure search and coordinate manipulation tools that place a wide variety of different types of structural information at the user's fingertips. Substructures, varying in complexity from small segments to complicated elements of a protein fold, can be identified and used in a wide range of applications, from density interpretation to protein engineering. To our knowledge, no other database modeling software provides such generalized coordinate manipulation capabilities. We have found the software to be a valuable addition to our molecular modeling tools.
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