<rss xmlns:atom="http://www.w3.org/2005/Atom" version="2.0"><channel><title>Protein Design - Tag - Xiaopeng Xu</title><link>https://xu-xp.com/tags/protein-design/</link><description>Protein Design - Tag - Xiaopeng Xu</description><generator>Hugo -- gohugo.io</generator><language>en</language><managingEditor>xiaopeng.xu@kaust.edu.sa (Xiaopeng Xu)</managingEditor><webMaster>xiaopeng.xu@kaust.edu.sa (Xiaopeng Xu)</webMaster><lastBuildDate>Thu, 08 Feb 2024 00:00:00 +0000</lastBuildDate><atom:link href="https://xu-xp.com/tags/protein-design/" rel="self" type="application/rss+xml"/><item><title>Rosetta 使用</title><link>https://xu-xp.com/posts/rosetta_usage/</link><pubDate>Thu, 08 Feb 2024 00:00:00 +0000</pubDate><author>xiaopeng.xu@kaust.edu.sa (Xiaopeng Xu)</author><guid>https://xu-xp.com/posts/rosetta_usage/</guid><description><![CDATA[<p>核心思想是 Rotamer</p>
<h2 id="安装">安装</h2>
<p>Rosetta 可以从 RosettaCommons 上面下载源代码。但需要在本地做 Compile 后才能使用。相关介绍见：<a href="https://www.rosettacommons.org/demos/latest/tutorials/install_build/install_build" target="_blank" rel="noopener noreffer ">https://www.rosettacommons.org/demos/latest/tutorials/install_build/install_build</a>。</p>
<div class="code-block code-line-numbers open" style="counter-reset: code-block 0">
    <div class="code-header language-powershell">
        <span class="code-title"><i class="arrow fas fa-angle-right" aria-hidden="true"></i></span>
        <span class="ellipses"><i class="fas fa-ellipsis-h" aria-hidden="true"></i></span>
        <span class="copy" title="Copy to clipboard"><i class="far fa-copy" aria-hidden="true"></i></span>
    </div><div class="highlight"><pre tabindex="0" class="chroma"><code class="language-powershell" data-lang="powershell"><span class="line"><span class="cl"><span class="n">tar</span> <span class="n">-xvzf</span> <span class="n">rosetta</span><span class="p">[</span><span class="no">releasenumber</span><span class="p">].</span><span class="py">tar</span><span class="p">.</span><span class="py">gz</span> <span class="c"># 解压压缩包</span>
</span></span><span class="line"><span class="cl"><span class="nb">cd </span><span class="n">rosetta</span><span class="p">*/</span><span class="n">main</span><span class="p">/</span><span class="n">source</span> <span class="c"># 打开源代码文件夹</span>
</span></span><span class="line"><span class="cl"><span class="p">./</span><span class="n">scons</span><span class="p">.</span><span class="py">py</span> <span class="n">-j</span> <span class="mf">20</span> <span class="n">mode</span><span class="p">=</span><span class="n">release</span> <span class="n">bin</span> <span class="c"># 用 scons 来生成 binary 文件，20为核数</span></span></span></code></pre></div></div>
<p>默认 build 好后在 ./bin/ 文件夹中。</p>]]></description></item><item><title>基于结构设计抗体</title><link>https://xu-xp.com/posts/struct-ab-design/</link><pubDate>Thu, 03 Feb 2022 00:00:00 +0000</pubDate><author>xiaopeng.xu@kaust.edu.sa (Xiaopeng Xu)</author><guid>https://xu-xp.com/posts/struct-ab-design/</guid><description><![CDATA[<h2 id="总体介绍">总体介绍</h2>
<p>目前抗体圈主要是在英美。美国以 RosettaCommons 为核心，有好多人在做抗体设计。英国以 Oxford 的 Charlotte Deane 为代表，有很多研究人员做此方向。</p>
<p>Rosetta 目前被蛋白质设计相关组广为使用。主要是美国的一些科研机构在用。包含抗体序列numbering、抗体结构预测、抗体抗原 docking 和 抗体设计等项目的多个软件。Numbering 主要用的是 PyIgClassify (2015), 抗体结构预测包括 RosettaAntibody(2009), AbPredict (2016, 2019), 和 RosettaCM (2013)，抗体抗原 docking 包括 RosettaDock (2008) 和 *SnugDock(2010)，抗体设计包括 RosettaAntibodyDesign (RAbD, 2018) 和 AbDesign (2015)，通过引用量来看 RosettaCM (748)，RosettaAntibody (2009, 175)，RosettaDock (2008, 516) 和 SnugDock (2010, 122) 用的人较多。另外，Rosetta 有个在线平台 Rosie，提供在线服务，做蛋白质结构预测和 Docking 等，<a href="https://rosie.rosettacommons.org/queue" target="_blank" rel="noopener noreffer ">https://rosie.rosettacommons.org/queue</a>。</p>]]></description></item></channel></rss>