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Updated: Jul 5, 2026
05:34
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.
Methods in Enzymology
|January 1, 1997
Summary
The LORE software enables users to search for protein substructures and manipulate coordinates, offering valuable insights for protein modeling and crystallography. This tool enhances the analysis of protein assembly and structural information.
Area of Science:
- Structural Biology
- Computational Biology
- Biochemistry
Background:
- Protein structure databases contain extensive information on building blocks and their assembly.
- Understanding protein structural organization is crucial for various biological applications.
- Current tools may lack comprehensive substructure search and coordinate manipulation capabilities.
Purpose of the Study:
- To introduce LORE software for protein structure analysis.
- To provide tools for substructure identification and coordinate manipulation.
- To enhance the capabilities of molecular modelers and crystallographers.
Main Methods:
- Development of the LORE software package.
- Implementation of substructure search algorithms.
- Integration of generalized coordinate manipulation functionalities.
Main Results:
- LORE software allows identification of protein substructures of varying complexity.
- The software facilitates diverse applications, including density interpretation and protein engineering.
- LORE offers generalized coordinate manipulation capabilities, not found in other database modeling software.
Conclusions:
- LORE software is a valuable addition to molecular modeling and crystallographic toolkits.
- The software effectively provides users with access to detailed structural information.
- LORE enhances the ability to analyze and utilize complex protein structural data.
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