An assessment of water placement algorithms in quantum mechanics/molecular mechanics modeling: the case of rhodopsins' first spectral absorption band maxima

Nikolaev, Dmitrii M ; Shtyrov, Andrey A ; Mereshchenko, Andrey S ; Panov, Maxim S ; Tveryanovich, Yuri S ; Ryazantsev, Mikhail N

Physical chemistry chemical physics : PCCP, 2020-08, Vol.22 (32), p.18114-18123 [Periódico revisado por pares]

Cambridge: Royal Society of Chemistry

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