"Protein-ligand binding free energy estimation using molecular mechanics ..."

Vincent Zoete, Olivier Michielin, Martin Karplus (2003)

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DOI: 10.1023/B:JCAM.0000021882.99270.4C

access: closed

type: Journal Article

metadata version: 2023-09-30

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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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