added more info and references

This commit is contained in:
Navan Chauhan 2020-09-19 17:09:45 +05:30
parent 92b2da20a1
commit 4e2aea9207
1 changed files with 20 additions and 5 deletions

View File

@ -3,11 +3,26 @@
{% block main %}
<h1>About Curie Web</h1>
<p>Curie Web is a web interface for my private Python Library called "Curie", with some aditional superpowers.</p>
<h4>Dock and Report</h4>
<p>This module uses AutoDock Vina to perform molecular docking on the specified molecular docking. It then uses PyMOL
to create high quality ray-traced visualisations. After finding and tabulating protein ligand interactions using PLIP,
it creates a PDF and emails you the report ( Along with supporting files )</p>
<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 GitHub Code <sup>[4]</sup> which is based on the paper <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>
<br>
[2] Schrödinger, LLC <cite>The PyMOL Molecular Graphics System, Version 2.0</cite>
<br>
[3] Salentin et al. (2015) <cite>PLIP: fully automated protein-ligand interaction profiler. Nucl. Acids Res. (1 July 2015) 43 (W1): W443-W447</cite>
<br>
[4]
<br>
[5]
<br>
[6] T. Wolf et al. <cite>HuggingFace's Transformers: State-of-the-art Natural Language Processing</cite>
</section>
<section>
<style>
#astronaut{