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Accurate Receptor-Ligand Binding Free Energies from Fast QM Conformational Chemical Space Sampling

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Boz,  Esra
Molecular Simulations and Design, Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society;

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Stein,  Matthias
Molecular Simulations and Design, Max Planck Institute for Dynamics of Complex Technical Systems, Max Planck Society;

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stein_3307100.pdf
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Citation

Boz, E., & Stein, M. (2021). Accurate Receptor-Ligand Binding Free Energies from Fast QM Conformational Chemical Space Sampling. International Journal of Molecular Sciences, 22(6): 3078. doi:10.3390/ijms22063078.


Cite as: http://hdl.handle.net/21.11116/0000-0008-3B6E-C
Abstract
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