Case ID: M08-034L

Published: 2011-01-13 13:13:05

Last Updated: 1677134834


Dmitry Matyushov

Technology categories

Genomic Assays/Reagents/ToolsLife Science (All LS Techs)Proteomic Assays/Reagents/Tools

Licensing Contacts

Jovan Heusser
Director of Licensing and Business Development
[email protected]

Software Package for the Solvation Thermodynamics of Biomolecules

Models of molecular dynamics are important tools in the study of biological molecules. Understanding how molecules interact can lead to better predictions of conformational transitions and protein folding, substrate (drug) binding, and binding of proteins to DNA. Current models, however, lack sufficient computational load to efficiently study properties of biopolymers.

Researchers at Arizona State University have designed an efficient algorithm for calculating the thermodynamics of biopolymers in aqueous solution. SolvMol performs calculations of the free energy of polar solvation of a molecule defined by coordinates of its atoms or atomic groups and a set of partial charges. In this way, the program provides results in better agreement with the known biomolecular database.

Potential Applications

  • Protein discovery
  • Drug interactions
  • Gene expression

Benefits and Advantages