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QM/MM Molecular Dynamics Studies of Metal Binding Proteins
Mixed quantum-classical (quantum mechanical/molecular mechanical (QM/MM)) simulations have strongly contributed to providing insights into the understanding of several structural and mechanistic aspects of biological molecules. They played a particularly important role in metal binding proteins, whe...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2014
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4192665/ https://www.ncbi.nlm.nih.gov/pubmed/25006697 http://dx.doi.org/10.3390/biom4030616 |