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index.html
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index.html
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<!DOCTYPE html>
<html lang="zxx" class="no-js">
<head>
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<meta name="viewport" content="width=device-width, initial-scale=1, shrink-to-fit=no">
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<link rel="shortcut icon" href="img/fav.png">
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<div class="container ml-0">
<div class="row fullscreen d-flex align-items-center ">
<div class="banner-content col-lg-6 col-md-12">
<h1 class="text-uppercase " >
MolEV: <br>
An Auto-Molecular
Generation Framework
</h1>
<p class="pb-20 text-white ml-10">
A repo for Molecular Evolution and DTI prediction
</p>
</div>
</div>
</div>
</section>
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<div class="row justify-content-center">
<div class="active-realated-carusel">
<div class="item row align-items-center">
<div class="col-lg-6 rel-left">
<h1>
Principle of MolEV
</h1>
<p class="pt-30 pb-30">
In the generation of the molecule, we divided it mainly
into two parts called molgraph and prograph, respectively, in
Molgraph, we extracted the dihedral angle of the molecule
With two geometric angles α, β, we set four atoms of the
molecule into one set (α, β, γ) arrays and mapped to RGB
triple primaries
</p>
<a href="Model.html" class="primary-btn2 header-btn text-uppercase">Model Details</a>
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<div class="item row align-items-center">
<div class="col-lg-6 rel-left">
<h1>
Framework about predicting the protein pocket
</h1>
<p class="pt-30 pb-30">
We built
the neural network prestige with the CNN as the main body
of predicted protein binding pockets.A four-channel grid protein descriptor
is constructed based on ligand site (ligsite), L-J potential,
and Coulomb force, which can be used for protein binding
site predictio
</p>
<a href="Report.html" class="primary-btn2 header-btn text-uppercase">Research Details</a>
</div>
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<h1 class="mb-10">Designed moleculars</h1>
</div>
</div>
</div>
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<div class="col-lg-4">
<div class="single-service">
<img class="img-fluid" src="img/mol/1.png" alt="">
<h4 class="pt-60 pb-20">FXR-558</h4>
</div>
</div>
<div class="col-lg-4">
<div class="single-service">
<img class="img-fluid" src="img/mol/3.png" alt="">
<h4 class="pt-60 pb-20">FXR-4215</h4>
<p>
</p>
</div>
</div>
<div class="col-lg-4">
<div class="single-service">
<img class="img-fluid" src="img/mol/2.png" alt="">
<h4 class="pt-60 pb-20">FXR-615</h4>
<p>
</p>
</div>
</div>
<div class="section-top-border-2">
<h3 class="mb-30 "><b>Table</b>: FEP calculation results for the optimal molecule</h3>
<div class="progress-table-wrap-2">
<div class="progress-table">
<div class="table-head">
<div class="visit">Environment</div>
<div class="visit">FXR-558/4215 in water</div>
<div class="visit">FXR-558/4215 in proteins</div>
<div class="visit">FXR-615/4215 in water</div>
<div class="visit">FXR-615/4215 in proteins</div>
</div>
<div class="table-row">
<div class="visit"> Overlap martrix</div>
<div class="visit"> <img src="img/FXR/558-OM-W.png" alt="flag" width = 180px></div>
<div class="visit"><img src="img/FXR/558-OM-P.png" alt="flag"width = 180px></div>
<div class="visit"><img src="img/FXR/615-OM-W.png" alt="flag"width = 180px></div>
<div class="visit"><img src="img/FXR/615-OM-P.png" alt="flag"width = 180px></div>
</div>
<div class="table-row">
<div class="visit"> DDG vs time</div>
<div class="visit"> <img src="img/FXR/558-DDG-W.png" alt="flag" width = 180px></div>
<div class="visit"><img src="img/FXR/558-DDG-P.png" alt="flag"width = 180px></div>
<div class="visit"><img src="img/FXR/615-DDG-W.png" alt="flag"width = 180px></div>
<div class="visit"><img src="img/FXR/615-DDG-P.png" alt="flag"width = 180px></div>
</div>
<div class="table-row">
<div class="visit"> Energy change breakdown</div>
<div class="visit"> <img src="img/FXR/558-ECB-W.png" alt="flag" width = 180px></div>
<div class="visit"><img src="img/FXR/558-ECB-P.png" alt="flag"width = 180px></div>
<div class="visit"><img src="img/FXR/615-ECB-W.png" alt="flag"width = 180px></div>
<div class="visit"><img src="img/FXR/615-ECB-P.png" alt="flag"width = 180px></div>
</div>
</div>
</div>
</div>
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<h1 class="mb-10">Contact Us</h1>
<p>Who are in extremely love with molecular generation framework.</p>
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