Browsing by Author "Ros Blanco, Laia"
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Multiscale modeling for complex chemical systems: highlights about the Nobel Prize in Chemistry 2013
Estrada Tejedor, Roger; Ros Blanco, Laia; Teixidó i Closa, Jordi (Afinidad. Vol.71, n.566 (2014), p.89-94, 2014-04)The Nobel Prize in Chemistry 2013 was awarded jointly to Martin Karplus, Michael Levitt and Arieh Warshel for the development of multiscale models for complex chemical systems. From the simplest ... -
Nitrogen positional scanning in tetramines active against HIV-1 as potential CXCR4 inhibitors
Borrell Bilbao, José Ignacio; Puig de la Bellacasa Cazorla, Raimon; Gibert Bosch, Albert; Planesas, Jesús M.; Ros Blanco, Laia; Batllori Aguilà, Xavier; Badía, Roger; Clotet i Sala, Bonaventura; Esté, José A.; Teixidó i Closa, Jordi (Organic & Biomolecular Chemistry. Vol.14, n.4 (2016), p.1455-1472, 2015-12)The paradigm, derived from bicyclams and other cyclams, by which it is necessary to use the p-phenylene moiety as the central core in order to achieve high HIV-1 antiviral activities has been reexamined ... -
Simulaciones para aprender sobre el enlace, la geometría de las moléculas y la estructura de las sustancias
Cuadros, Jordi; Estrada Tejedor, Roger; Ros Blanco, Laia (Alambique. Vol.86 (2016), p.34-38, 2016)Las herramientas de modelización molecular son de uso común en investigación ypermiten explorar las estructuras de las entidades químicas y predecir las propiedades de las mismas. Del mismo modo, estos ...