Exploring Chemical Space Using Ab Initio Hyperreactor Dynamics von Stan-Bernhardt, Alexandra, Glinkina, Liubov, Hulm, Andreas, Ochsenfeld, Christian

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Improved Sampling of Adaptive Path Collective Variables by Stabilized Extended-System Dynamics von Hulm, Andreas, Ochsenfeld, Christian

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Statistically optimal analysis of the extended-system adaptive biasing force (eABF) method von Hulm, Andreas, Dietschreit, Johannes C. B., Ochsenfeld, Christian

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From free-energy profiles to activation free energies von Dietschreit, Johannes C. B., Diestler, Dennis J., Hulm, Andreas, Ochsenfeld, Christian, Gómez-Bombarelli, Rafael

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QM/MM Free Energy Calculations of Long-Range Biological Protonation Dynamics by Adaptive and Focused Sampling von Pöverlein, Maximilian C., Hulm, Andreas, Dietschreit, Johannes C. B., Kussmann, Jörg, Ochsenfeld, Christian, Kaila, Ville R. I.

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From Free-Energy Profiles to Activation Free Energies von Dietschreit, Johannes C B, Diestler, Dennis J, Hulm, Andreas, Ochsenfeld, Christian, Gómez-Bombarelli, Rafael

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