Energy calculations for potassium vs sodium selectivity on potassium channel: an ab initio study

Autor: Emilio San-Fabián, Juan Ferrer, Lorena Simó-Cabrera

Numerous theoretical and experimental studies have attempted to determine the mechanisms of bacterial potassium channel selectivity (KcsA). However, there are still different aspects that remain uncovered. In this paper, we have built a model based o

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0613cf36137cb6a5162742a29a5ed663
https://hdl.handle.net/10045/113184

Centrosymmetric resonance-assisted intermolecular hydrogen bonding chains in the enol form of ␤-diketone: Crystal structure and theoretical study

Autor: Wagner Luiz Pereira, Róbson Ricardo Teixeira, Silvana Guilardi, Javier Ellena, Eduardo de Faria Franca, Drielly A. Paixão

Publikováno v: LOCUS Repositório Institucional da UFV
Universidade Federal de Viçosa (UFV)
instacron:UFV
Repositório Institucional da USP (Biblioteca Digital da Produção Intelectual)
Universidade de São Paulo (USP)
instacron:USP

Isobenzofuran-1(3H)-ones (phtalides) are heterocycles that present a benzene ring fused to a γ-lactone functionality. This structural motif is found in several natural and synthetic compounds that present relevant biological activities. In the prese

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2a300de334eec5e9b4ec59218a77c9af
http://www.locus.ufv.br/handle/123456789/19094