Search Results - "McKay, Kyle T"

A computational study of cooperative binding to multiple SARS-CoV-2 proteins by Li, Jianing, McKay, Kyle T., Remington, Jacob M., Schneebeli, Severin T.

“…Structure-based drug design targeting the SARS-CoV-2 virus has been greatly facilitated by available virus-related protein structures. However, there is an…”
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Iterative Exponential Growth of Oxygen-Linked Aromatic Polymers Driven by Nucleophilic Aromatic Substitution Reactions by Jaynes, Tyler J, Sharafi, Mona, Campbell, Joseph P, Bocanegra, Jessica, McKay, Kyle T, Little, Kassondra, Osadchey Brown, Reilly, Gray, Danielle L, Woods, Toby J, Li, Jianing, Schneebeli, Severin T

“…This work presents the first transition metal-free synthesis of oxygen-linked aromatic polymers by integrating iterative exponential polymer growth (IEG) with…”
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Chemical Exploration with Virtual Reality in Organic Teaching Laboratories by Ferrell, Jonathon B, Campbell, Joseph P, McCarthy, Dillon R, McKay, Kyle T, Hensinger, Magenta, Srinivasan, Ramya, Zhao, Xiaochuan, Wurthmann, Alexander, Li, Jianing, Schneebeli, Severin T

“…While virtual reality (VR) is emerging as an interactive tool for chemical education, its application and assessment for chemical education are still limited…”
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Helical Molecular Springs with Varying Spring Constants by Murphy, Kyle E., McKay, Kyle T., Schenkelberg, Mica, Sharafi, Mona, Vestrheim, Olav, Ivancic, Monika, Li, Jianing, Schneebeli, Severin T.

“…We report a general synthetic route toward helical ladder polymers with varying spring constants, built with chirality‐assisted synthesis (CAS). Under tension…”
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Enhanced sampling protocol to elucidate fusion peptide opening of SARS-CoV-2 spike protein by Remington, Jacob M., McKay, Kyle T., Ferrell, Jonathon B., Schneebeli, Severin T., Li, Jianing

“…Large-scale conformational transitions in the spike protein S2 domain are required during host-cell infection of the severe acute respiratory syndrome…”
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GPCRLigNet: rapid screening for GPCR active ligands using machine learning by Remington, Jacob M, McKay, Kyle T, Beckage, Noah B, Ferrell, Jonathon B, Schneebeli, Severin T., Li, Jianing

“…Molecules with bioactivity towards G protein-coupled receptors represent a subset of the vast space of small drug-like molecules. Here, we compare machine…”
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MEPicides: α,β-Unsaturated Fosmidomycin Analogues as DXR Inhibitors against Malaria by Wang, Xu, Edwards, Rachel L, Ball, Haley, Johnson, Claire, Haymond, Amanda, Girma, Misgina, Manikkam, Michelle, Brothers, Robert C, McKay, Kyle T, Arnett, Stacy D, Osbourn, Damon M, Alvarez, Sophie, Boshoff, Helena I, Meyers, Marvin J, Couch, Robin D, Odom John, Audrey R, Dowd, Cynthia S

“…Severe malaria due to Plasmodium falciparum remains a significant global health threat. DXR, the second enzyme in the MEP pathway, plays an important role to…”
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Rücktitelbild: Helical Molecular Springs with Varying Spring Constants (Angew. Chem. 50/2022) by Murphy, Kyle E., McKay, Kyle T., Schenkelberg, Mica, Sharafi, Mona, Vestrheim, Olav, Ivancic, Monika, Li, Jianing, Schneebeli, Severin T.

“…Molekulare Spiralfedern aus chiralen Leiterpolymeren expandieren und kontrahieren ohne Entfaltung bei Raumtemperatur. In ihrer Zuschrift (e202209772) zeigen…”
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Helical Molecular Springs with Varying Spring Constants by Murphy, Kyle E., McKay, Kyle T., Schenkelberg, Mica, Sharafi, Mona, Vestrheim, Olav, Ivancic, Monika, Li, Jianing, Schneebeli, Severin T.

“…We report a general synthetic route toward helical ladder polymers with varying spring constants, built with chirality‐assisted synthesis (CAS). Under tension…”
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Back Cover: Helical Molecular Springs with Varying Spring Constants (Angew. Chem. Int. Ed. 50/2022) by Murphy, Kyle E., McKay, Kyle T., Schenkelberg, Mica, Sharafi, Mona, Vestrheim, Olav, Ivancic, Monika, Li, Jianing, Schneebeli, Severin T.

“…Helical molecular springs built from chiral ladder polymers expand and contract without unfolding at room temperature. In their Communication (e202209772),…”
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