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"Combined quantum-mechanical molecular mechanics calculations with NWChem ..."
Teerapong Pirojsirikul et al. (2017)
- 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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