Cargando…
The effect of different cutoff schemes in molecular simulations of proteins
Molecular simulations of nanoscale systems invariably involve assumptions and approximations to describe the electrostatic interactions, which are long‐ranged in nature. One approach is the use of cutoff schemes with a reaction‐field contribution to account for the medium outside the cutoff scheme....
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
John Wiley & Sons, Inc.
2020
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7756334/ https://www.ncbi.nlm.nih.gov/pubmed/33026106 http://dx.doi.org/10.1002/jcc.26426 |