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...

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Bibliografische gegevens

Gepubliceerd in:	Proc Natl Acad Sci U S A
Hoofdauteurs:	Trosset, Jean-Yves, Scheraga, Harold A.
Formaat:	Artigo
Taal:	Inglês
Gepubliceerd in:	National Academy of Sciences 1998
Onderwerpen:	Biological Sciences
Online toegang:	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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