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
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researchers and RECCR. Downloading or reproducing any content without the written consent of
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Last Update : Feb. 9, 2007