Ab-initio molecular dynamics and hybrid explicit-implicit solvation model for aqueous and nonaqueous solvents : GFP chromophore in water and methanol solution as case study

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Détails bibliographiques
Publié dans:Journal of computational chemistry. - 1984. - 41(2020), 26 vom: 05. Okt., Seite 2228-2239
Auteur principal: Raucci, Umberto (Auteur)
Autres auteurs: Perrella, Fulvio, Donati, Greta, Zoppi, Maria, Petrone, Alessio, Rega, Nadia
Format: Article en ligne
Langue:English
Publié: 2020
Accès à la collection:Journal of computational chemistry
Sujets:Journal Article Research Support, Non-U.S. Gov't Ab-initio molecular dynamics hybrid implicit/explicit solvation model nonperiodic boundary conditions optical absorption spectra Solvents Water 059QF0KO0R Green Fluorescent Proteins plus... 147336-22-9 Methanol Y4S76JWI15