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Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to

V Zoete1, O Michielin, M Karplus

  • 1Laboratoire de Chimie Biophysique, Institut de Science et d'Ingénierie Supramoléculaires, Université Louis Pasteur, 8 allée Gaspard Monge, BP 70028 Strasbourg Cedex, France.

Journal of Computer-Aided Molecular Design
|May 6, 2004
PubMed

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