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A backbone‐dependent rotamer library with high (ϕ, ψ) coverage using metadynamics simulations
Backbone‐dependent rotamer libraries are commonly used to assign the side chain dihedral angles of amino acids when modeling protein structures. Most rotamer libraries are created by curating protein crystal structure data and using various methods to extrapolate the existing data to cover all possi...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley & Sons, Inc.
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9679973/ https://www.ncbi.nlm.nih.gov/pubmed/36327064 http://dx.doi.org/10.1002/pro.4491 |