Using sketch-map coordinates to analyze and bias molecular dynamics simulations.
When examining complex problems, such as the folding of proteins, coarse grained descriptions of the system drive our investigation and help us to rationalize the results. Oftentimes collective variables (CVs), derived through some chemical intuition about the process of interest, serve this purpose...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2012
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