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Combined quantum-mechanical molecular mechanics calculations with NWChem and AMBER: Excited state properties of green fluorescent protein chromophore analogue in aqueous solution

Teerapong Pirojsirikul, Andreas W. Götz, John 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. Journal of Computational Chemistry, 38(18):1631-1639, 2017. [doi]

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