Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field

Post time 2024-5-23 02:04:12

journal：Journal of Chemical Theory and Computation

Authors：Devleena Shivakumar; Joshua Williams; Yujie Wu; Wolfgang Damm; John Shelley; Woody Sherman

Published date：2010-5-11

DOI：10.1021/ct900587b

PDF link：https://pubs.acs.org/doi/pdf/10.1021/ct900587b

Article link：http://dx.doi.org/10.1021/ct900587b

Article Source：American Chemical Society (ACS)。

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Post time 2024-5-23 02:04:13

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[ACS] Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field

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