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<!doctype html>
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<title>Moltimate</title>
<meta name="author" content="Melissa Gould">
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<h1 style="background-image: linear-gradient(to left, #20BDFF, #5433FF); color:white; padding: 6px; width: 90%;text-align: center;">Moltimate</h1>
<h2>Project Synopsis</h2>
<p style="padding: 2em 4em; max-width: 620px">Moltimate is a software tool used in the Biochemistry Authentic Scientific Inquiry Labratory (BASIL). Moltimate is used to identify and compare proteins of unknown function to documented enzyme active sites. These active sites have the potential to become drug targets. The pipeline of Moltimate goes from protein function identification to ligand binding will allow users of Moltimate to assess potential drug candidates. The app contains a ligand library that will be populated based on ligands that bind to proteins from the Enzyme Commission class of the motif template selected for comparison. The docking of ligands produces calculations of the free energy of binding. Our goal in this project is to fully develop the pipeline of protein function prediction as well as ligand binding to enzyme active sites. Another main goal in this project is to transition from NGL Viewer to Mol*.</p>
<h2>Find the Code Here:</h2>
<p><a href="https://github.com/moltimate">Github</a></p>
<h2>Deployments:</h2>
<p><a href="http://moltimate.us-east-1.elasticbeanstalk.com/">Production</a></p>
<p><a href="http://moltimate-dev.us-east-1.elasticbeanstalk.com/">Development</a></p>
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<h2>Documentation</h2>
<h3><a href="./userDocumentation.html">General User Documentation</a></h3>
<h3><a href="./localSetup.html">How to setup Moltimate Locally</a></h3>
<h3><a href="./awsDeployment.html">Deploying Moltimate to AWS - Deployment Documentation</a></h3>
<h3><a href="./handoff.html">Handoff Document for 2021-22 RIT Senior Project Developers</a></h3>
<h3><a href="./technicalReport.html">RIT SE Technical Report 2021</a></h3>
<h3><a href="./molstar.html">The state of Mol*</a></h3>
<h3><a href="./vinalc.html">VinaLC Progress and Documentation</a></h3>
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