The last in a set of units by these authors, this unit addresses some important remaining questions about molecular modeling of nucleic acids. It describes how to choose an appropriate molecular mechanics force field; how to set up and equilibrate the system for accurate simulation of a nucleic acid in an explicit solvent by molecular dynamics or Monte Carlo simulation; and how to analyze molecular dynamics trajectories.
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| http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4091932 | PMC |
| http://dx.doi.org/10.1002/0471142700.nc0710s06 | DOI Listing |
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