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On the use of intra‐molecular distance and angle constraints to lengthen the time step in molecular and stochastic 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. An example of such...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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John Wiley & Sons, Inc.
2021
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9293444/ https://www.ncbi.nlm.nih.gov/pubmed/34569110 http://dx.doi.org/10.1002/prot.26251 |