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Insights into Ligand–Protein Binding from Local Mechanical Response
Computational studies of ligand–protein binding are crucial for properly designing novel compounds of potential pharmacological interest. In this respect, researchers are increasingly interested in steered molecular dynamics for ligand–protein binding and unbinding studies. In particular, it has bee...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2011
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3191767/ https://www.ncbi.nlm.nih.gov/pubmed/22003321 http://dx.doi.org/10.1021/ct200324j |