In this article we present a quantitative evaluation of the convergence of the conformational coordinates of proteins, obtained by the Essential Dynamics method. Using a detailed analysis of long molecular dynamics trajectories in combination with a statistical assessment of the significance of the
A study on the measurement of mean velocity and its convergence in molecular dynamics simulations
β Scribed by S. M. H. Karimian; S. Izadi; A. Barati Farimani
- Publisher
- John Wiley and Sons
- Year
- 2010
- Tongue
- English
- Weight
- 360 KB
- Volume
- 67
- Category
- Article
- ISSN
- 0271-2091
- DOI
- 10.1002/fld.2487
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