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<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>
+ <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>
@@ -17,9 +17,9 @@
<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]
+ [4] https://github.com/topazape/LSTM_Chem/
<br>
- [5]
+ [5] A. Gupta et al. Mol. Inf. 2018, 37, 1700111.
<br>
[6] T. Wolf et al. <cite>HuggingFace's Transformers: State-of-the-art Natural Language Processing</cite>
</section>