PDB2PQR: expanding and upgrading automated preparation of biomolecular structures for molecular simulations

J. H. Jensen, G. Klebe, N. A. Baker, T. J. Dolinsky, P. Czodrowski, H. Li, J. E. Nielsen
  • Nucleic Acids Research, May 2007, Oxford University Press (OUP)
  • DOI: 10.1093/nar/gkm276

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