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Exact Relation between Potential of Mean Force and Free-Energy Profile
We apply concepts of covariant and contravariant vector space in differential geometry and general relativity to derive new, general, exact relations between potential of mean force and free-energy profile. These relations are immensely practical in free-energy simulations because a full Jacobian tr...
Gorde:
| Egile Nagusiak: | , |
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| Formatua: | Artigo |
| Hizkuntza: | Inglês |
| Argitaratua: |
2012
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| Gaiak: | |
| Sarrera elektronikoa: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3505112/ https://ncbi.nlm.nih.gov/pubmed/23185141 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ct300392f |
| Etiketak: |
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