<?xml version="1.0" encoding="utf-8" standalone="yes"?><rss version="2.0" xmlns:atom="http://www.w3.org/2005/Atom"><channel><title>Molecular Simulation | CoBAI Lab</title><link>https://cobailab.github.io/tag/molecular-simulation/</link><atom:link href="https://cobailab.github.io/tag/molecular-simulation/index.xml" rel="self" type="application/rss+xml"/><description>Molecular Simulation</description><generator>Hugo Blox Builder (https://hugoblox.com)</generator><language>en-us</language><lastBuildDate>Tue, 21 Jul 2026 09:00:00 +0800</lastBuildDate><image><url>https://cobailab.github.io/media/icon_hu16861375505764986416.png</url><title>Molecular Simulation</title><link>https://cobailab.github.io/tag/molecular-simulation/</link></image><item><title>2026 International Workshop on Biophysics, Protein Engineering and Computational Biology</title><link>https://cobailab.github.io/event/nyu-shanghai-biophysics-workshop-2026/</link><pubDate>Tue, 21 Jul 2026 09:00:00 +0800</pubDate><guid>https://cobailab.github.io/event/nyu-shanghai-biophysics-workshop-2026/</guid><description>&lt;p>Weiwei He presented his research at the &lt;strong>2026 International Workshop on Biophysics, Protein Engineering and Computational Biology&lt;/strong>, held at &lt;strong>NYU Shanghai&lt;/strong> on July 21–23, 2026. The workshop, orgnized by Profs. &lt;a href="https://faculty.ecnu.edu.cn/_s34/xf2/main.psp" target="_blank" rel="noopener">Fei Xia&lt;/a>, &lt;a href="https://research.shanghai.nyu.edu/centers-and-institutes/chemistry/people/john-zenghui-zhang" target="_blank" rel="noopener">John Zhang&lt;/a>, and &lt;a href="https://research.shanghai.nyu.edu/centers-and-institutes/chemistry/people/mark-tuckerman" target="_blank" rel="noopener">Mark Tuckerman&lt;/a>, brought together researchers working across biophysics, protein engineering, computational biology, artificial intelligence, and molecular simulation.&lt;/p>
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&lt;div class="w-100" >&lt;img alt="Research presentations" srcset="
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&lt;div class="w-100" >&lt;img alt="Research presentations 2" srcset="
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&lt;/p></description></item><item><title>Introduction to Molecular Simulation</title><link>https://cobailab.github.io/resources/introduction-to-molecular-simulation/</link><pubDate>Mon, 13 Jul 2026 00:00:00 +0000</pubDate><guid>https://cobailab.github.io/resources/introduction-to-molecular-simulation/</guid><description>&lt;h2 id="materials-overview">Materials Overview&lt;/h2>
&lt;p>Introduction to molecular simulation methods and their applications to biomolecular systems.&lt;/p>
&lt;p>Course materials available here.&lt;/p>
&lt;ul>
&lt;li>&lt;a href="https://cobailab.github.io/downloads/teaching/lecture-notes.pdf">Lecture notes&lt;/a>&lt;/li>
&lt;li>&lt;a href="https://colab.research.google.com/github/cobailab/cobailab.github.io/blob/main/static/downloads/teaching/GROMACS_SAXS.ipynb" target="_blank" rel="noopener">Colab documentation&lt;/a>&lt;/li>
&lt;/ul>
&lt;h2 id="topics">Topics&lt;/h2>
&lt;ul>
&lt;li>Molecular simulation fundamentals&lt;/li>
&lt;li>Force fields and molecular interactions&lt;/li>
&lt;li>Structural analysis and visualization&lt;/li>
&lt;/ul></description></item><item><title>Exploring cation-mediated DNA interactions using computer simulations</title><link>https://cobailab.github.io/publication/cation-mediated-dna-conference/</link><pubDate>Sat, 30 May 2020 00:00:00 +0000</pubDate><guid>https://cobailab.github.io/publication/cation-mediated-dna-conference/</guid><description/></item></channel></rss>