"Combined quantum-mechanical molecular mechanics calculations with NWChem ..."

Teerapong Pirojsirikul et al. (2017)

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DOI: 10.1002/JCC.24804

access: closed

type: Journal Article

metadata version: 2020-12-02

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Teerapong Pirojsirikul, Andreas W. Götz, John H. Weare, Ross C. Walker, Karol Kowalski, Marat Valiev:
Combined quantum-mechanical molecular mechanics calculations with NWChem and AMBER: Excited state properties of green fluorescent protein chromophore analogue in aqueous solution. J. Comput. Chem. 38(18): 1631-1639 (2017)

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