Article ISI SCOPUS
JOURNAL OF COMPUTATIONAL CHEMISTRY  (2018)

Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges

Lara, A; Riquelme, M; Vohringer-Martinez, E

Keywords: dna bases, free energy calculations, Hirshfeld-I atomic charges, MBIS atomic charges, partition coefficients

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Título según WOS: Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges
Título según SCOPUS: Partition coefficients of methylated DNA bases obtained from free energy calculations with molecular electron density derived atomic charges
Título de la Revista: JOURNAL OF COMPUTATIONAL CHEMISTRY
Volumen: 39
Número: 22
Editorial: Wiley
Fecha de publicación: 2018
Página de inicio: 1728
Página final: 1737
Idioma: English
DOI:

10.1002/jcc.25347
Notas: ISI, SCOPUS