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authorNavan Chauhan <navanchauhan@gmail.com>2020-09-19 17:09:45 +0530
committerNavan Chauhan <navanchauhan@gmail.com>2020-09-19 17:09:45 +0530
commit4e2aea92077ccbf3873b02df4c5f4a275cd80873 (patch)
treed5844fe4d6e775b0c93128bdbeccda2c979f517c /app
parent92b2da20a115b978f9789e6e0a353d44ddcabe62 (diff)
added more info and references
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{% 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{