English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Plus annual

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

The selection of high-affinity aptamers is of paramount interest for clinicaland technological applications. A novel strategy is proposed to validate thereliability of the 3D structures of aptamers, produced in silico by using freesoftware. The procedure consists of three steps: a. the production of a largeset of conformations for each candidate aptamer, b. the rigid docking upon thereceptor, c. the topological and electrical characterization of the products.Steps a. and b. allow a global binding score of the ligand-receptor complexesbased on the distribution of the "effective affinity", i.e. the sum of theconformational and the docking energy. Step c. employs a complex networkapproach (Proteotronics) to characterize the electrical properties of theaptamers and the ligand-receptor complexes. The test-bed is represented by agroup of anti- Angiopoietin-2 aptamers. In a previous literature these aptamerswere processed both in vitro and in silico, by using an approach different fromthat here presented, and finally tested with a SPS experiment. Computationalexpectations and experimental outcomes did not agree, while our results show agood agreement with the known measurements. The devised procedure is notaptamer-specific and, integrating structure production with structureselection, candidates itself as a quite complete theoretical approach foraptamer selection.

A validation strategy for in silico generated aptamers