Browsing by Subject "Química computacional"
Now showing items 1-3 of 3
-
Computational study of the capability of the side chains of amino acids for setting up cation···π interactions relevant in protein stability and structure
(2015-11-16)Within every living organism, proteins carry out specific essential functions, so much that without them life would be non-viable. These molecular machines are the responsible of obtaining chemical energy and also of ... -
Mellora de métodos computacionais semiempíricos para a predición de reactividade química mediante técnicas de “machine learning”
(2021-07)O machine learning e a intelixencia artificial estanse convertindo en técnicas cada vez máis presentes na investigación en química computacional. A medida que temos acceso a unha maior cantidade datos de química cuántica, ... -
Tailoring buckybowls for fullerene recognition
(2015-09-28)Nowadays, the design and synthesis of fullerenes receptors is a very attractive field of research. Besides their great importance in the development of new materials in nanotechnology and nanoscience, fullerene receptors ...