"Efficient free energy calculations on small molecule host-guest systems - ..."

Chris Oostenbrink (2009)

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DOI: 10.1002/JCC.21116

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type: Journal Article

metadata version: 2020-04-01

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Chris Oostenbrink:
Efficient free energy calculations on small molecule host-guest systems - A combined linear interaction energy/one-step perturbation approach. J. Comput. Chem. 30(2): 212-221 (2009)

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