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A “Reverse-Schur” Approach to Optimization With Linear PDE Constraints: Application to Biomolecule Analysis and Design

We present a partial-differential-equation (PDE)-constrained approach for optimizing a molecule’s electrostatic interactions with a target molecule. The approach, which we call reverse-Schur co-optimization, can be more than two orders of magnitude faster than the traditional approach to electrostat...

Täydet tiedot

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Bibliografiset tiedot
Päätekijät: Bardhan, Jaydeep P., Altman, Michael D., Tidor, B., White, Jacob K.
Aineistotyyppi: Artigo
Kieli:Inglês
Julkaistu: 2009
Aiheet:
Linkit:https://ncbi.nlm.nih.gov/pmc/articles/PMC3465730/
https://ncbi.nlm.nih.gov/pubmed/23055839
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