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added 2024 azide clock qm/mm paper and membrane permeability
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darianyang committed May 2, 2024
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Expand Up @@ -100,6 +100,8 @@ <h3> <a id="what-is-westpa" class="anchor" href="#what-is-westpa" aria-hidden="t
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<li> S Choe. &quot;Free Energy Analyses of Cell-Penetrating Peptides Using the Weighted Ensemble Method.&quot; <a onclick="window.open(this.href); return false;" <a title="https://www.mdpi.com/2077-0375/11/12/974" href="https://www.mdpi.com/2077-0375/11/12/974" onkeypress="window.open(this.href); return false;" class="style_5"> Membranes</a> (2021).<br>
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<li> S Zhang, JP Thompson, J Xia, AT Bogetti, F York, AG Skillman, LT Chong, and DN LeBard &quot;Mechanistic Insights into Passive Membrane Permeability of Drug-like Molecules from a Weighted Ensemble of Trajectories.&quot; <a onclick="window.open(this.href); return false;" <a title="https://doi.org/10.1021/acs.jcim.1c01540" href="https://doi.org/10.1021/acs.jcim.1c01540" onkeypress="window.open(this.href); return false;" class="style_5"> J. Chem. Inf. Model.</a> (2022).<br>
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<li> M Beasley, N Frazee, S Groover, SJ Valentine, B Mertz, and J Legleiter &quot;Physicochemical Properties Altered by the Tail Group of Lipid Membranes Influence Huntingtin Aggregation and Lipid Binding.&quot; <a onclick="window.open(this.href); return false;" <a title="https://pubs.acs.org/doi/10.1021/acs.jpcb.1c10254" href="https://pubs.acs.org/doi/10.1021/acs.jpcb.1c10254" onkeypress="window.open(this.href); return false;" class="style_5"> J. Phys. Chem. B</a> (2022).<br>
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<li> S Sur and A Grossfield &quot;Effects of cholesterol on the mechanism of fengycin,
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<li> JR Santhouse, JMG Leung, LT Chong, WS Horne &quot;Effects of altered backbone composition on the folding kinetics and mechanism of an ultrafast-folding protein.&quot; <a onclick="window.open(this.href); return false;" title="https://doi.org/10.1039/D3SC03976E" href="https://doi.org/10.1039/D3SC03976E" onkeypress="window.open(this.href); return false;" class="style_5">Chem. Sci.</a> (2024).<br>
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<li> AT Bogetti, MC Zweir, LT Chong &quot;Revisiting Textbook Azide-Clock Reactions: A “Propeller-Crawling” Mechanism Explains Differences in Rates&quot; <a onclick="window.open(this.href); return false;" title="https://doi.org/10.1021/jacs.4c03360" href="https://doi.org/10.1021/jacs.4c03360" onkeypress="window.open(this.href); return false;" class="style_5">J. Am. Chem. Soc.</a> (2024).<br>
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<p><strong>Related Weighted Ensemble Publications:</strong> </p>
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