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#moleculardynamics

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RJ Nowling<p>Trying to get back in the <a href="https://mastodon.social/tags/moleculardynamics" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>moleculardynamics</span></a> bandwagon. Found a <a href="https://mastodon.social/tags/NMR" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>NMR</span></a> structure for a relatively small neurotoxin protein bound to a small peptide that neutralizes it. No one seems to have done any MD simulations yet. Started some sims. Maybe I’ll observe something interesting worth publishing.</p>
Itamar Kass<p>I finally have the time to write an <a href="https://tooot.im/tags/introduction" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>introduction</span></a>:<br>I am a <a href="https://tooot.im/tags/structuralbiology" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>structuralbiology</span></a> <a href="https://tooot.im/tags/scientist" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>scientist</span></a>, currently working in the <a href="https://tooot.im/tags/biomed" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>biomed</span></a> industry. I have a long-standing interest in the study the correlation between the 3D structure and dynamics of proteins and their regulation mechanisms. thought my research I had used <a href="https://tooot.im/tags/NMR" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>NMR</span></a>, <a href="https://tooot.im/tags/xrayscattaring" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>xrayscattaring</span></a>, <a href="https://tooot.im/tags/SPR" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>SPR</span></a>, FTIR, <a href="https://tooot.im/tags/moleculardynamics" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>moleculardynamics</span></a>, <a href="https://tooot.im/tags/modelling" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>modelling</span></a>, <a href="https://tooot.im/tags/Docking" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>Docking</span></a>, <a href="https://tooot.im/tags/proteindesign" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>proteindesign</span></a> and more.<br>When I have time, I enjoy to <a href="https://tooot.im/tags/run" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>run</span></a>, specifically do <a href="https://tooot.im/tags/trailrun" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>trailrun</span></a> with my kids.</p>
Mateo Barría Urenda :verified:<p>After a day trying this out I decided to do a proper <a href="https://c.im/tags/introduction" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>introduction</span></a>. I never was an active twitter user but this is looking much more interesting to me. </p><p>I'm 26 years old. I'm a PhD student at the <a href="https://c.im/tags/UniversidadDeValparaiso" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>UniversidadDeValparaiso</span></a> , <a href="https://c.im/tags/Chile" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>Chile</span></a> While my native tongue is Chilean Spanish I tend to keep my online accounts in English.</p><p>*Research topics* I study <a href="https://c.im/tags/Biophysics" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>Biophysics</span></a> and <a href="https://c.im/tags/ComputationalBiology" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>ComputationalBiology</span></a>. I do <a href="https://c.im/tags/MolecularDynamics" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>MolecularDynamics</span></a> simulations of <a href="https://c.im/tags/CarbonNanomaterials" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>CarbonNanomaterials</span></a> and <a href="https://c.im/tags/BioMolecules" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>BioMolecules</span></a>, mostly with <a href="https://c.im/tags/GROMOS" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>GROMOS</span></a> .</p><p>*Computer stuff* I'm an <a href="https://c.im/tags/Emacs" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>Emacs</span></a> enthusiast running <a href="https://c.im/tags/doomemacs" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>doomemacs</span></a> . <a href="https://c.im/tags/linux" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>linux</span></a> daily driver. I know <a href="https://c.im/tags/python" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>python</span></a> and some <a href="https://c.im/tags/julia" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>julia</span></a> and I'm learning a bit of <a href="https://c.im/tags/C" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>C</span></a>++ and <a href="https://c.im/tags/elisp" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>elisp</span></a> . Recently got into keyboards and switched to a moonlander (split kb) and the <a href="https://c.im/tags/colemakdh" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>colemakdh</span></a> layout .</p><p>*Hobbies* As you might've guessed, I'm into nerdy stuff. I dabble into <a href="https://c.im/tags/ttrpg" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>ttrpg</span></a> (prefer <a href="https://c.im/tags/pathfinder" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>pathfinder</span></a> 2e rather than <a href="https://c.im/tags/DnD" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>DnD</span></a>) and <a href="https://c.im/tags/tcg" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>tcg</span></a> (Primarily <a href="https://c.im/tags/digimon" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>digimon</span></a>, and recently <a href="https://c.im/tags/marvelsnap" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>marvelsnap</span></a>). I read a ton of <a href="https://c.im/tags/manga" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>manga</span></a> and sometimes watch <a href="https://c.im/tags/anime" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>anime</span></a>. I play videogames on both <a href="https://c.im/tags/pc" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>pc</span></a> and <a href="https://c.im/tags/nintendo" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>nintendo</span></a> <a href="https://c.im/tags/switch" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>switch</span></a></p>
Lab COSMO<p>Hello @fediverse. A little <a href="https://fediscience.org/tags/introduction" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>introduction</span></a> about us. We are a diverse bunch of <a href="https://fediscience.org/tags/compchem" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>compchem</span></a>, <a href="https://fediscience.org/tags/materialscience" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>materialscience</span></a> and <a href="https://fediscience.org/tags/datascience" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>datascience</span></a> folks, developing and applying methods to understand the behavior of matter by modeling it at the atomic scale. Robust roots in <a href="https://fediscience.org/tags/moleculardynamics" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>moleculardynamics</span></a> and sampling, branching out vigorously into <a href="https://fediscience.org/tags/machinelearning" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>machinelearning</span></a>. We value <a href="https://fediscience.org/tags/openscience" class="mention hashtag" rel="nofollow noopener" target="_blank">#<span>openscience</span></a> and collaboration, and we are driven by curiosity more than by immediate returns. Based in Lausanne at @epfl.</p>