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Maruca2019Computer_p3 #42

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Daniel-Ibarrola opened this issue May 12, 2021 · 1 comment
Open

Maruca2019Computer_p3 #42

Daniel-Ibarrola opened this issue May 12, 2021 · 1 comment
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docking paper tag paper Issue to comment and discuss a paper pharmacophore paper tag virtual screening paper tag
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Daniel-Ibarrola commented May 12, 2021 •
edited by dprada
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Maruca, Annalisa, Francesca Alessandra Ambrosio, Antonio Lupia, Isabella Romeo, Roberta Rocca, Federica Moraca, Carmine Talarico, et al. “Computer-Based Techniques for Lead Identification and Optimization I: Basics.” Physical Sciences Reviews 4, no. 6 (2019): 20180113.

An overview of virtual screening, pharmacophores, docking, and molecular dynamics simulations. It mentions methods for validation of pharmacophores such as sensitivity, specificity, enrichment factor, etc
@Daniel-Ibarrola Daniel-Ibarrola added paper Issue to comment and discuss a paper docking paper tag virtual screening paper tag pharmacophore paper tag labels May 12, 2021
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dprada commented May 12, 2021

Because of this paper we decided to open two discussions: #43 and uibcdf/OpenPharmacophore#10

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