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On the use of multiple‐time‐step algorithms to save computing effort in molecular dynamics simulations of proteins
Computer simulation of proteins in aqueous solution at the atomic level of resolution is still limited in time span and system size due to limited computing power available and thus employs a variety of time‐saving techniques that trade some accuracy against computational effort. Examples of such ti...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley & Sons, Inc.
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8252490/ https://www.ncbi.nlm.nih.gov/pubmed/33951201 http://dx.doi.org/10.1002/jcc.26541 |