Michael Sauer on Muck Rack

Michael Sauer

As seen in: The Badger Herald, Nature, Wiley Online Library, Bild, Der Tagesspiegel, Frontiers, PNAS, Science Magazine, Royal Society of Chemistry, Cell Press, The Diplomat Magazine and
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Articles

Interpretable machine learning uncovers structural determinants of Wnt-Wntless binding specificity from atomistic simulations

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By Tiffany J. Callahan, Jie Shi, Kevin Cheng, Michael Sauer, Taras V. Pogorelov, Sara Capponi
| Nature Verified
Abstract The Wnt protein family plays a critical role in cell development, with each Wnt protein interacting differently with the Wntless (Wls) membrane protein through distinct binding residues. A direct comparison and elucidation of the molecular mechanisms underlying Wnt–Wls binding across the diverse Wnt family remain challenging, owing to variations in sequence length and amino acid composition among Wnt proteins, which can affect their binding affinity and trafficking efficiency via Wls.
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Fast sampling of protein conformational dynamics

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By Michael Sauer, Nathan A. Ona, Souvik Mondal, Jiansong Zhao, Taisong Fang, Sthitadhi Maiti, Matthias Heyden, Brandon Neff
| Science Magazine Verified
Abstract Protein function often depends on dynamic transitions between conformations rather than just static structures. However, our current ability to characterize or predict such dynamics lags behind recent advances in protein structure prediction. Enhanced sampling methods can speed up molecular dynamics simulations to study protein conformational transitions but require prior knowledge of key collective motions involved.
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High-Throughput Computation of Anharmonic Low-Frequency Protein Vibrations

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By Michael Sauer, Souvik Mondal, Madeline Cano, Matthias Heyden
| dx.doi.org
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