Visualization of ensembles of molecular simulation trajectories
In this thesis we present an exploration system tailored for very large molecular simulations which may involve several ligands. This system integrates a 3D view and enhanced 2D charts that work cohesively in facilitating the acquisition of important high-level knowledge.
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| Tipo de recurso: | tesis de maestría |
| Fecha de publicación: | 2018 |
| País: | España |
| Institución: | Universitat Politècnica de Catalunya (UPC) |
| Repositorio: | UPCommons. Portal del coneixement obert de la UPC |
| Idioma: | inglés |
| OAI Identifier: | oai:upcommons.upc.edu:2117/120751 |
| Acceso en línea: | https://hdl.handle.net/2117/120751 |
| Access Level: | acceso abierto |
| Palabra clave: | Three-dimensional display systems Molecular dynamics -- Simulation methods Visualització molecular Molecular visualization Visualització tridimensional (Informàtica) Dinàmica molecular -- Mètodes de simulació Àrees temàtiques de la UPC::Informàtica |
| Sumario: | In this thesis we present an exploration system tailored for very large molecular simulations which may involve several ligands. This system integrates a 3D view and enhanced 2D charts that work cohesively in facilitating the acquisition of important high-level knowledge. |
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