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"Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid ..."

Paulius Mikulskis et al. (2014)

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DOI: 10.1007/S10822-014-9739-X

access: closed

type: Journal Article

metadata version: 2021-10-14

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  - https://dblp.org/rec/journals/jcamd/MikulskisCAKBGMSR14
Paulius Mikulskis, Daniela Cioloboc, Milica Andrejic, Sakshi Khare, Joakim Brorsson, Samuel Genheden, Ricardo A. Mata, Pär Söderhjelm, Ulf Ryde:
Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host-guest binding energies. J. Comput. Aided Mol. Des. 28(4): 375-400 (2014)

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