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Local Normal Mode Analysis for Fast Loop Conformational Sampling
[Image: see text] We propose and validate a novel method to efficiently explore local protein loop conformations based on a new formalism for constrained normal mode analysis (NMA) in internal coordinates. The manifold of possible loop configurations imposed by the position and orientation of the fi...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9516680/ https://www.ncbi.nlm.nih.gov/pubmed/36099639 http://dx.doi.org/10.1021/acs.jcim.2c00870 |