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ORCID"Protein-ligand binding free energy estimation using molecular mechanics ..."
Vincent Zoete, Olivier Michielin, Martin Karplus (2003)
- Vincent Zoete, Olivier Michielin
, Martin Karplus:
Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors. J. Comput. Aided Mol. Des. 17(12): 861-880 (2003)
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