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"Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from ..."
Daniel Markthaler, Hamzeh Kraus, Niels Hansen (2022)
- Daniel Markthaler, Hamzeh Kraus, Niels Hansen:
Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange. J. Comput. Aided Mol. Des. 36(1): 1-9 (2022)
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