A Robust Force Field Based Method for Calculating Conformational Energies of Charged Drug-Like Molecules

Jacob Poehlsgaard, Kasper Harpsøe, Flemming Steen Jørgensen, Lars Olsen. A Robust Force Field Based Method for Calculating Conformational Energies of Charged Drug-Like Molecules. Journal of Chemical Information and Computer Sciences, 52(2):409-419, 2012. [doi]

Authors

Jacob Poehlsgaard

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Kasper Harpsøe

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Flemming Steen Jørgensen

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Lars Olsen

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