"Converging free energies of binding in cucurbit[7]uril and octa-acid ..."

Jacob I. Monroe, Michael R. Shirts (2014)

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DOI: 10.1007/S10822-014-9716-4

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type: Journal Article

metadata version: 2024-05-07

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Jacob I. Monroe, Michael R. Shirts:
Converging free energies of binding in cucurbit[7]uril and octa-acid host-guest systems from SAMPL4 using expanded ensemble simulations. J. Comput. Aided Mol. Des. 28(4): 401-415 (2014)

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