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"Combining Monte Carlo and Molecular Dynamics Simulations for Enhanced ..."

Joan F. Gilabert et al. (2020)

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DOI: 10.1021/ACS.JCIM.0C00406

access: closed

type: Journal Article

metadata version: 2022-10-02

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  - journals/jcisd/GilabertCHG20
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  - https://dblp.org/rec/journals/jcisd/GilabertCHG20
Joan F. Gilabert, Oriol Gracia Carmona, Anders Hogner, Victor Guallar:
Combining Monte Carlo and Molecular Dynamics Simulations for Enhanced Binding Free Energy Estimation through Markov State Models. J. Chem. Inf. Model. 60(11): 5529-5539 (2020)

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