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Keywords: Computer Software, Biomaterials
Pharmaceutical development; institutional research
The ProNOI software provides a convenient and user-friendly method for simulating surfaces and regular objects. An unlimited number of objects can be created and combined with biological macromolecules in the Protein Data Bank (PDB) format file. Once the objects are generated, the user can use sliders to manipulate their shape, dimension and absolute position. In addition, the software offers the option to charge the objects with either specified surface or volumetric charge density and to model them with user-desired dielectric constants. According to the user’s preference, the biological macromolecule atoms can be assigned charges and radii with four force fields, including Amber, Charmm, OPLS and PARSE. Furthermore, the output file is compatible with most biophysical software.
Working prototype
Copyright
N/A
2013-020
Nicholas Smith, Emil Alexov
Chris Gesswein
Executive Director, Director of Licensing agesswe@clemson.edu
Contact
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