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{% extends 'base.html' %}
{% set active_page = "about" %}
{% block main %}
<h1>About Curie Web</h1>
<h4>Docking</h4>
<p>This section deals with Molecular Docking and protein-ligand interactions. It uses AutoDock Vina<sup>[1]</sup> for docking, PyMOL<sup>[2]</sup> for visualisations, and PLIP<sup>[3]</sup> for interactions and binding site detection.</p>
<h4>Drug Designing</h4>
<p>LSTM based on @topazape's LSTM_Chem<sup>[4]</sup>, a Tensorflow implementation of the paper Generative Recurrent Networks for De Novo Drug Design<sup>[5]</sup></p>
<h4>Research</h4>
<p>Quick Searches for PubMed and PubChem are powered by their respective APIs. Qrious app is written in SwiftUI and uses the FigShare API along with a pre-trained BERT<sup>[6]</sup> model.</p>
<section>
<h2>References</h4>
[1] O. Trott, A. J. Olson<cite>AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading, Journal of Computational Chemistry 31 (2010) 455-461</cite>
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[2] Schrödinger, LLC <cite>The PyMOL Molecular Graphics System, Version 2.0</cite>
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[3] Salentin et al. (2015) <cite>PLIP: fully automated protein-ligand interaction profiler. Nucl. Acids Res. (1 July 2015) 43 (W1): W443-W447</cite>
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[4] https://github.com/topazape/LSTM_Chem/
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[5] A. Gupta et al. Mol. Inf. 2018, 37, 1700111.
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[6] T. Wolf et al. <cite>HuggingFace's Transformers: State-of-the-art Natural Language Processing</cite>
</section>
<section>
<style>
#astronaut{
height: 40vh;
}
</style>
<div id="astronaut"></div>
<script src="{{url_for('static',filename='js/astronaut.js')}}"></script>
</section>
{% endblock %}
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