Molecular dynamics simulation of highly charged proteins: Comparison of the particle-particle particle-mesh and reaction field methods for the calculation of electrostatic interactions

Molecular dynamics (MD) simulations of the activation domain of porcine procarboxypeptidase B (ADBp) were performed to examine the effect of using the particle-particle particle-mesh (P3M) or the reaction field (RF) method for calculating electrostatic interactions in simulations of highly charged p...

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Hlavní autoři: Gargallo, Raimundo, Hünenberger, Philippe H., Avilés, Francesc X., Oliva, Baldomero
Médium: Artigo
Jazyk:Inglês
Vydáno: Cold Spring Harbor Laboratory Press 2003
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On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC2366931/
https://ncbi.nlm.nih.gov/pubmed/14500874
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