[HTML][HTML] In silico selection of an aptamer to estrogen receptor alpha using computational docking employing estrogen response elements as aptamer-alike molecules

R Ahirwar, S Nahar, S Aggarwal, S Ramachandran… - Scientific reports, 2016 - nature.com
selections and enrichment. Circumventing conventional methodology, here we report an in
silico selection of … Near-native RNA analogs of selected single stranded EREs were modelled …

In-silico selection of aptamer: A review on the revolutionary approach to understand the aptamer design and interaction through computational chemistry

MZ Sabri, AAA Hamid, SMS Hitam… - Materials Today …, 2019 - Elsevier
… combining microarray technology, computational docking and related insilico method, and
a … In the study, selection and mutation of potential aptamers was performed insilico. The …

In silico selection of RNA aptamers

Y Chushak, MO Stone - Nucleic acids research, 2009 - academic.oup.com
… the selected sequences are not target specific. At the second screening level, we used
computational docking … At this point, the selected RNA molecules are specific to the desired target …

What in silico molecular docking can do for the 'bench-working biologists'

M Mihăşan - Journal of biosciences, 2012 - Springer
… point of view and makes a selection of the available servers and … applications of in silico
docking techniques are presented. … Docking is a term used for computational schemes that …

In silico predictions and optimization of aptamers against Streptococcus agalactiae surface protein using computational docking

S Soon, NA Nordin - Materials Today: Proceedings, 2019 - Elsevier
… the selected aptamers against a bacterial surface protein as test model and control targets
using computational docking. … analysis against the test protein by computational docking. The …

Docking, virtual high throughput screening and in silico fragment‐based drug design

V Zoete, A Grosdidier… - Journal of cellular and …, 2009 - Wiley Online Library
… of computational methods helping the design of new drug candidates more rapidly and at
lower costs. In silico … Second, the fragments that are used in silico can be selected to involve …

Machine learning in computational docking

MA Khamis, W Gomaa, WF Ahmed - Artificial intelligence in medicine, 2015 - Elsevier
… for feature selection and model generation of customized docking scoring functions for …
combine QSAR models and scores from in silico docking experiments. In general, QSAR models …

Molecular docking as a popular tool in drug design, an in silico travel

J De Ruyck, G Brysbaert, R Blossey… - … and Applications in …, 2016 - Taylor & Francis
computational cost is involved, and small molecule docking has become one of the most
active research areas in computationalselect models from this ensemble and make a docking

Challenges and advances in computational docking: 2009 in review

E Yuriev, M Agostino… - Journal of Molecular …, 2011 - Wiley Online Library
… They have also used NMR and MD to complement the in silico work and to guide the
selection of candidates for further testing. In the screen against Plasmepsins (targets for malaria), …

Virtual high-throughput in silico screening

MHJ Seifert, K Wolf, D Vitt - Biosilico, 2003 - Elsevier
… from provided docking results for compounds selected in previous … to achieve a sufficient
number of in silico hits. It has been … the computational time explodes as soon as multiple protein …