دورية أكاديمية
Multiscale modeling for complex chemical systems: Highlights about the Nobel Prize in Chemistry 2013
| العنوان: | Multiscale modeling for complex chemical systems: Highlights about the Nobel Prize in Chemistry 2013 |
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| المؤلفون: | Estrada-Tejedor, Roger, Ros-Blanco, Laia, Teixidó Closa, Jordi |
| المصدر: | Afinidad. Revista de química teórica y aplicada; Vol. 71, Núm. 566 (2014) Afinidad; Vol. 71, Núm. 566 (2014) |
| حالة النشر: | published |
| بيانات النشر: | Universitat Ramon Llull, 2014. |
| سنة النشر: | 2014 |
| مصطلحات موضوعية: | QM/MM, Nobel Prize, Molecular Modeling. |
| الوصف: | 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 ofchemical 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. |
| نوع الوثيقة: | article |
| وصف الملف: | application/pdf |
| اللغة: | English |
| تدمد: | 2339-9686 0001-9704 |
| العلاقة: | https://www.raco.cat/index.php/afinidad/article/view/278339/366106Test |
| الوصول الحر: | https://www.raco.cat/index.php/afinidad/article/view/278339Test |
| رقم الانضمام: | edsrac.278339 |
| قاعدة البيانات: | RACO (Revistes Catalanes amb Accés Obert) |
| تدمد: | 23399686 00019704 |
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