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Evaluating the Effects of Cutoffs and Treatment of Long-range Electrostatics in Protein Folding Simulations
The use of molecular dynamics simulations to provide atomic-level descriptions of biological processes tends to be computationally demanding, and a number of approximations are thus commonly employed to improve computational efficiency. In the past, the effect of these approximations on macromolecul...
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| Main Authors: | , , , , , |
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| Format: | Artigo |
| Jezik: | Inglês |
| Izdano: |
Public Library of Science
2012
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| Teme: | |
| Online dostop: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3386949/ https://ncbi.nlm.nih.gov/pubmed/22768169 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0039918 |
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