Reaching the global minimum in docking simulations: A Monte Carlo energy minimization approach using Bezier splines
The docking problem faces two major challenges: the global optimization of a multivariable function, such as the energy, and the ability to discriminate between true and false positive results, i.e., native from nonnative structures based on the input energy function. Among all energy evaluation too...
Uloženo v:
| Vydáno v: | Proc Natl Acad Sci U S A |
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| Hlavní autoři: | , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
National Academy of Sciences
1998
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC20920/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/9653131/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.95.14.8011 |
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