"New Features of the Open Source Monte Carlo Software Brick-CFCMC: ..."

H. Mert Polat et al. (2021)

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DOI: 10.1021/ACS.JCIM.1C00652

access: closed

type: Journal Article

metadata version: 2023-09-30

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H. Mert Polat, Hirad S. Salehi, Remco Hens, Dominika O. Wasik, Ahmadreza Rahbari, Frédérick de Meyer, Céline Houriez, Christophe Coquelet, Sofía Calero, David Dubbeldam, Othonas A. Moultos, Thijs J. H. Vlugt:
New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves. J. Chem. Inf. Model. 61(8): 3752-3757 (2021)

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