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"Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from ..."

Daniel Markthaler, Hamzeh Kraus, Niels Hansen (2022)

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DOI: 10.1007/S10822-021-00439-W

access: open

type: Journal Article

metadata version: 2023-08-28

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  - journals/jcamd/MarkthalerKH22
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  - https://dblp.org/rec/journals/jcamd/MarkthalerKH22
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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