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APBC
2003

A New Program to Compute the Surface Properties of Biomolecules

14 years 28 days ago
A New Program to Compute the Surface Properties of Biomolecules
The interactions of large molecules with surfaces and with each other are strongly dependent upon their surface, rather than their bulk properties. In addition, the local properties of biomolecular surfaces are very important in their own right in biomedicine and other areas, for example for locating binding sites. Following to previous work, we have developed a program to compute to compute amino acid and atom-based surface descriptors, and used it to generate a small database of charge and hydrophobicity-related surface properties for a set of proteins. The program requires the user to input two text files: one assigning a real number to each atom of each amino acid, and one assigning a real number to each amino acid. Although we have so far only computed surface charge (atom-based) and surface hydrophobicity (amino acid-based), we note that this program could be used to compute any surface parameter whatsoever, since the user can assign arbitrary atom-by-atom and amino acid propert...
Dan V. Nicolau Jr., Florin Fulga, Dan V. Nicolau
Added 31 Oct 2010
Updated 31 Oct 2010
Type Conference
Year 2003
Where APBC
Authors Dan V. Nicolau Jr., Florin Fulga, Dan V. Nicolau
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