Robust fragment-based method of calculating hydrogen atom transfer activation barrier in complex molecules.

Liu, Yizhou; Pickard, Frank C; Sluggett, Gregory W; Mustakis, Iasson G

Liu, Yizhou; Pickard, Frank C; Sluggett, Gregory W; Mustakis, Iasson G.

Afiliación

Liu Y; Analytical Research and Development, Pfizer Research and Development, 445 Eastern Point Road, Groton, CT 06340, USA. Yizhou.Liu@pfizer.com.
Pickard FC; Pharmaceutical Sciences, Pfizer Research & Development, Groton, CT 06340, USA.
Sluggett GW; Medicine Design, Pfizer Research & Development, Cambridge, MA 02139, USA.
Mustakis IG; Analytical Research and Development, Pfizer Research and Development, 445 Eastern Point Road, Groton, CT 06340, USA. Yizhou.Liu@pfizer.com.

Phys Chem Chem Phys ; 26(3): 1869-1880, 2024 Jan 17.

Article en En | MEDLINE | ID: mdl-38175161

Texto completo

Imprimir

XML

PubMed Links

Buscar en Google

Texto completo: 1 Colección: 01-internacional Banco de datos: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2024 Tipo del documento: Article País de afiliación: Estados Unidos

Texto completo

Imprimir

XML

PubMed Links

Buscar en Google