"Nonbonded Force Field Parameters from MBIS Partitioning of the Molecular ..."

Luis Macaya, Duván González, Esteban Vöhringer-Martinez (2024)

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DOI: 10.1021/ACS.JCIM.3C01912

access: closed

type: Journal Article

metadata version: 2024-05-17

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Luis Macaya, Duván González, Esteban Vöhringer-Martinez:
Nonbonded Force Field Parameters from MBIS Partitioning of the Molecular Electron Density Improve Binding Affinity Predictions of the T4-Lysozyme Double Mutant. J. Chem. Inf. Model. 64(8): 3269-3277 (2024)

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