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Rensselaer Exploratory Center for Cheminformatics Research (RECCR)

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PROTEIN RECON
version 2007

designed by N. Sukumar, Theresa Hepburn, Matthew Sundling and Curt Breneman
© Rensselaer Polytechnic Institute, 2001-2007

PROTEIN RECON is an algorithm for the rapid reconstruction of molecular charge density-based electronic properties of proteins, using atomic charge density fragments precomputed from ab initio wavefunctions. The method is based on Bader's quantum theory of Atoms in Molecules. The atomic charge density fragments are used to construct an amino acid library.

Interpretation of Molecular Descriptors

Property
Select All to dump descriptors to screen (then use File->Save As to save); Select any other descriptor for graphical output.

Format:

FASTA sequence(s):

or PDB :

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Last Update : Feb. 9, 2007
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