Ferruz Capapey, Noelia (Date of defense: 2016-03-04)
Understanding how receptor-ligand interactions occur is a first step towards designing new drugs. The complete reconstruction of the binding process in a drug-receptor system provides all the ...
Rodríguez Espigares, Ismael (Date of defense: 2018-04-04)
In this thesis, we present GPCRmd, an online repository with a submission system and visualization platform specifically designed for storing and providing easy access to molecular dynamics (MD) data ...
Stanley, Nathaniel H. (Date of defense: 2015-04-24)
This thesis has been about the use of a simulation technique, known as molecular dynamics simulations, to study biophysics in proteins that have historically been difficult to study with other methods. ...
Doerr, Stefan (Date of defense: 2016-09-16)
Molecular dynamics has established itself over the last years as a strong tool for structure-based molecular investigation in biology. Stefan Doerr's thesis concerns the application of machine learning ...
Pérez Culubret, Adrià (Date of defense: 2022-01-27)
Caracteritzar la dinàmica de les proteïnes és essencial per tal d'entendre la connexió entre seqüència i funció. La simulació de dinàmiques moleculars és una de les tècniques principals per a estudiar ...
Guixà González, Ramon (Date of defense: 2014-07-23)
La composición lipídica de las membranas celulares determina en última instancia sus propiedades biofísicas, afectando así las dinámicas y organización de proteinas transmembrana claves como los receptores ...