Multiscale modeling for complex chemical systems: highlights about the Nobel Prize in Chemistry 2013
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 approximation of molecular mechanics (MM) to quantum mechanics (QM), computational techniques allow simul...
| Autores: | , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2014 |
| País: | España |
| Institución: | Universitat Ramon Llull (URL) |
| Repositorio: | DAU Arxiu Digital de la Universitat Ramon Llull |
| OAI Identifier: | oai:dau.url.edu:20.500.14342/1146 |
| Acceso en línea: | http://hdl.handle.net/20.500.14342/1146 |
| Access Level: | acceso abierto |
| Palabra clave: | Quàntums, Teoria dels Premis Nobel Karplus, Martin, 1930- Levitt, Michael, 1947- Warshel, Arieh QM/MM Quantum mechanics Molecular mechanics Nobel Prize Molecular Modeling Mecánica cuántica Mecánica molecular Premio Nobel Modelización molecular Mecànica quàntica Mecànica molecular Premi Nobel Modelització molecular 53 54 |
| Sumario: | 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 approximation of molecular mechanics (MM) to quantum mechanics (QM), computational techniques allow simulating a great variety of chemical systems. Combined QM/MM methodologies, however, are the best consensus for treating complex biological systems. Herein we review the theoretical basis of QM/MM methods and their applications during the last twenty years. |
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