A silicon laboratory: chemistry without chemicals
The 2013 Nobel Prize in chemistry was awarded to A.Warshel, M.Levitt and M.Karplus for their contribution to the development of hybrid methods for computational chemistry. In this article a brief introduction about computational chemistry methods is presented. This paper will show the order in which...
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2013 |
| País: | Perú |
| Institución: | Pontificia Universidad Católica del Perú |
| Repositorio: | Revistas - Pontificia Universidad Católica del Perú |
| Idioma: | español |
| OAI Identifier: | oai:ojs.pkp.sfu.ca:article/8973 |
| Acceso en línea: | http://revistas.pucp.edu.pe/index.php/quimica/article/view/8973 |
| Access Level: | acceso abierto |
| Palabra clave: | Computational Chemistry QM/MM Nobel Prize Química Computacional Premio Nobel |
| Sumario: | The 2013 Nobel Prize in chemistry was awarded to A.Warshel, M.Levitt and M.Karplus for their contribution to the development of hybrid methods for computational chemistry. In this article a brief introduction about computational chemistry methods is presented. This paper will show the order in which the QM/MM (Quantum Mechanics/Molecular Mechanics) methods were developed for the study of macromolecular systems and specially their application in enzymes and biochemistry. Finally, the reach and future prospects of these methods originally developed by A. Warshel, M.Levitt and M. Karplus in the seventies will be discussed. |
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