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#drugdesign

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ReDATA, University of Arizona<p>💧🧬 Did you know that key drug targets in your body, the G-protein–coupled receptors (GPCRs), need a massive influx of water to activate, even more than their size? Fried et al. found this and more in a study that can change the future of drug design. Check out their dataset and article at <a href="https://doi.org/10.25422/azu.data.19686555" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="ellipsis">doi.org/10.25422/azu.data.1968</span><span class="invisible">6555</span></a> and <a href="https://doi.org/10.1073/pnas.2117349119" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://</span><span class="">doi.org/10.1073/pnas.2117349119</span><span class="invisible"></span></a>. Image: Fried et al. (2022). CC BY-NC-ND 4.0<br><a href="https://mastodon.social/tags/OpenData" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>OpenData</span></a> <a href="https://mastodon.social/tags/OpenScience" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>OpenScience</span></a> <a href="https://mastodon.social/tags/DrugDesign" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDesign</span></a> <a href="https://mastodon.social/tags/UniversityofArizona" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>UniversityofArizona</span></a></p>
Europe Says<p><a href="https://www.europesays.com/1644714/" rel="nofollow noopener noreferrer" target="_blank"><span class="invisible">https://www.</span><span class="">europesays.com/1644714/</span><span class="invisible"></span></a> Computational intelligence analysis on drug solubility using thermodynamics and interaction mechanism via models comparison and validation <a href="https://pubeurope.com/tags/chemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemistry</span></a> <a href="https://pubeurope.com/tags/Data" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Data</span></a> <a href="https://pubeurope.com/tags/DrugDesign" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDesign</span></a> <a href="https://pubeurope.com/tags/DrugSolubility" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugSolubility</span></a> <a href="https://pubeurope.com/tags/engineering" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>engineering</span></a> <a href="https://pubeurope.com/tags/FireworksAlgorithm" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>FireworksAlgorithm</span></a> <a href="https://pubeurope.com/tags/GaussianProcessRegression" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>GaussianProcessRegression</span></a> <a href="https://pubeurope.com/tags/HumanitiesAndSocialSciences" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>HumanitiesAndSocialSciences</span></a> <a href="https://pubeurope.com/tags/HyperParameterOptimization" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>HyperParameterOptimization</span></a> <a href="https://pubeurope.com/tags/MathematicsAndComputing" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>MathematicsAndComputing</span></a> <a href="https://pubeurope.com/tags/multidisciplinary" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>multidisciplinary</span></a> <a href="https://pubeurope.com/tags/science" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>science</span></a></p>
michael<p>17-JUL-2024<br>Designing safer opioids</p><p>Opioid medications offer people relief from debilitating <a href="https://mastodon.social/tags/pain" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>pain</span></a>, but these <a href="https://mastodon.social/tags/drugs" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>drugs</span></a> come with dangers: the risk for addiction, miserable withdrawal symptoms and the potential for fatal overdose. Researchers have identified a strategy to design safer <a href="https://mastodon.social/tags/opioids" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>opioids</span></a>. They showed that an experimental opioid, which binds to an unconventional spot in the receptor, suppresses pain in animal models with fewer side effects.</p><p><a href="https://www.eurekalert.org/news-releases/1051080" rel="nofollow noopener noreferrer" translate="no" target="_blank"><span class="invisible">https://www.</span><span class="ellipsis">eurekalert.org/news-releases/1</span><span class="invisible">051080</span></a> <br><a href="https://mastodon.social/tags/science" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>science</span></a> <a href="https://mastodon.social/tags/drugDesign" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>drugDesign</span></a></p>
Bose-Einstein-Kondensat<p>4/n Despite its massive <a href="https://mstdn.social/tags/educational" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>educational</span></a> potential, to my point of view it currently also represents the best price for value platform for serious <a href="https://mstdn.social/tags/research" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>research</span></a> purposes, e.g. fantastic <a href="https://mstdn.social/tags/Alphafold" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Alphafold</span></a> model <a href="https://mstdn.social/tags/visualization" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>visualization</span></a> &amp; even <a href="https://mstdn.social/tags/DrugDesign" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDesign</span></a>.<br><a href="https://mstdn.social/tags/DIYbio" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DIYbio</span></a> <a href="https://mstdn.social/tags/lab" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>lab</span></a> <a href="https://mstdn.social/tags/instruments" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>instruments</span></a> <a href="https://mstdn.social/tags/chemistry" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>chemistry</span></a> <a href="https://mstdn.social/tags/education" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>education</span></a> <a href="https://mstdn.social/tags/MINT" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>MINT</span></a> <a href="https://mstdn.social/tags/STEM" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>STEM</span></a> <a href="https://mstdn.social/tags/AR" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>AR</span></a></p>
Dave nλ=2dsinθ<p>I'd better do another <a href="https://xtaldave.net/tags/introduction" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>introduction</span></a> with the new influx of folx into <a href="https://xtaldave.net/tags/fediverse" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>fediverse</span></a>. </p><p>Hi, I'm Dave. I'm a staff <a href="https://xtaldave.net/tags/Scientist" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Scientist</span></a> at a biomedical Research Institute in <a href="https://xtaldave.net/tags/London" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>London</span></a>, <a href="https://xtaldave.net/tags/UK" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>UK</span></a> </p><p>I'm a <a href="https://xtaldave.net/tags/StructuralBiologist" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>StructuralBiologist</span></a> by training. I help run a group that studies <a href="https://xtaldave.net/tags/Kinase" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Kinase</span></a> <a href="https://xtaldave.net/tags/signaling" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>signaling</span></a> in human <a href="https://xtaldave.net/tags/health" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>health</span></a> and <a href="https://xtaldave.net/tags/disease" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>disease</span></a>. </p><p>I do <a href="https://xtaldave.net/tags/Crystallography" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Crystallography</span></a> <a href="https://xtaldave.net/tags/CryoEM" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>CryoEM</span></a> <a href="https://xtaldave.net/tags/Biophysics" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Biophysics</span></a> <a href="https://xtaldave.net/tags/DrugDesign" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>DrugDesign</span></a> and <a href="https://xtaldave.net/tags/Glycobiology" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Glycobiology</span></a>. <a href="https://xtaldave.net/tags/Science" class="mention hashtag" rel="nofollow noopener noreferrer" target="_blank">#<span>Science</span></a></p>
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