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MBIS non-bonded force field parameters

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1 results in Keywords: MBIS non-bonded force field parameters

Theoretical and Computational Chemistry

Non-bonded force field parameters from MBIS partitioning of the molecular electron density improve binding affinity predictions of the T4-lysozyme double mutant

Luis Macaya, Duván González, Esteban Vöhringer-Martinez

Version 2 posted 18 March 2024

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