Abstract
The FIRST software (Floppy Inclusions and Rigid Substructure Topography) was developed by researchers at Arizona State University for analyzing conformations of proteins and other biomolecules. This software uses patented algorithms for identifying rigid and flexible regions within proteins and other biomolecules of thousands of residues in a few seconds. The FRODA module (Framework Rigidity-Optimized Dynamics Algorithm) within the FIRST software uses geometric simulation algorithms to quickly explore the clash free conformational space in proteins or other biomolecules. FRODA is capable of generating thousand of distinct conformations within minutes on a single-processor computer. Potential Applications Pharmaceutical research (e.g. searching for possible ligands to inactivate HIV protease) Understanding cellular metabolism Cancer and autoimmune disease researchBenefits and Advantages Novel algorithms are faster than competing software products Shows flexibility and motion in biomolecules It is easy to simulate the motion in large structures Conformational changes in ADK proteins are produced in five minutes or lessThe on-line freeware version is available at: http:/flexweb.asu.edu. Download Original PDF
| Original language | English (US) |
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| State | Published - Jun 6 2005 |