"Developing and Benchmarking Sulfate and Sulfamate Force Field Parameters ..."

Miguel Riopedre-Fernandez et al. (2024)

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DOI: 10.1021/ACS.JCIM.4C00981

access: open

type: Journal Article

metadata version: 2024-12-09

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  - https://dblp.org/rec/journals/jcisd/RiopedreFernandezKMMB24
Miguel Riopedre-Fernandez, Vojtech Kostal, Tomás Martínek, Hector Martinez-Seara, Denys Biriukov:
Developing and Benchmarking Sulfate and Sulfamate Force Field Parameters via Ab Initio Molecular Dynamics Simulations To Accurately Model Glycosaminoglycan Electrostatic Interactions. J. Chem. Inf. Model. 64(18): 7122-7134 (2024)

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