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  1. PDB2PQR Server (View Publication)
    Resource Category : Webserver -> Protein -> 3-D Structural Features

    Brief Description : Server that allows users to convert PDB files into PQR files by adding missing atoms, optimizing hydrogen bonding and assigning atomic charge and radius parameters. The resulting PQR file can be used for electrostatic calculations which can give insight into the influence of electrostatics on biomolecular structures.

    Institute/s :
    Department of Biochemistry and Molecular Biophysics, Center for Computational Biology, Washington University in St. Louis, 700 S. Euclid Ave., Campus Box 8036, St. Louis, MO 63110, USA.
    Address of Institute/s :
    Department of Biochemistry and Molecular Biophysics, Center for Computational Biology, Washington University in St. Louis, 700 S. Euclid Ave., Campus Box 8036, St. Louis, MO 63110, USA.
    Country : United States


    Authors/Contributors : Dolinsky TJ, Czodrowski P, Li H, Nielsen JE, Jensen JH, Klebe G, Baker NA.
    Contact Email : baker@biochem.wustl.edu
    Year : 2007



  2. PDB2PQR Server (View Publication)
    Resource Category : Webserver -> Protein -> Biochemical Features

    Brief Description : Server that allows users to convert PDB files into PQR files by adding missing atoms, optimizing hydrogen bonding and assigning atomic charge and radius parameters. The resulting PQR file can be used for electrostatic calculations which can give insight into the influence of electrostatics on biomolecular structures.

    Institute/s :
    Department of Biochemistry and Molecular Biophysics, Center for Computational Biology, Washington University in St. Louis, 700 S. Euclid Ave., Campus Box 8036, St. Louis, MO 63110, USA.
    Address of Institute/s :
    Department of Biochemistry and Molecular Biophysics, Center for Computational Biology, Washington University in St. Louis, 700 S. Euclid Ave., Campus Box 8036, St. Louis, MO 63110, USA.
    Country : United States


    Authors/Contributors : Dolinsky TJ, Czodrowski P, Li H, Nielsen JE, Jensen JH, Klebe G, Baker NA.
    Contact Email : baker@biochem.wustl.edu
    Year : 2007