"On the fly estimation of host-guest binding free energies using the ..."

Nupur Bansal et al. (2017)

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DOI: 10.1007/S10822-016-9980-6

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type: Journal Article

metadata version: 2022-04-09

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Nupur Bansal, Zheng Zheng, David S. Cerutti, Kenneth M. Merz Jr.:
On the fly estimation of host-guest binding free energies using the movable type method: participation in the SAMPL5 blind challenge. J. Comput. Aided Mol. Des. 31(1): 47-60 (2017)

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