Machine Learning Reveals the Critical Interactions for SARS-CoV‑2 Spike Protein Binding to ACE2
Pavlova, Anna, Zhang, Zijian, Acharya, Atanu, Lynch, Diane L, Pang, Yui Tik, Mou, Zhongyu, Parks, Jerry M, Chipot, Chris, Gumbart, James C
Published in The journal of physical chemistry letters (17.06.2021)
Published in The journal of physical chemistry letters (17.06.2021)
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Plasticity within the barrel domain of BamA mediates a hybrid-barrel mechanism by BAM
Wu, Runrun, Bakelar, Jeremy W, Lundquist, Karl, Zhang, Zijian, Kuo, Katie M, Ryoo, David, Pang, Yui Tik, Sun, Chen, White, Tommi, Klose, Thomas, Jiang, Wen, Gumbart, James C, Noinaj, Nicholas
Published in Nature communications (08.12.2021)
Published in Nature communications (08.12.2021)
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Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease
Pavlova, Anna, Lynch, Diane L, Daidone, Isabella, Zanetti-Polzi, Laura, Smith, Micholas Dean, Chipot, Chris, Kneller, Daniel W, Kovalevsky, Andrey, Coates, Leighton, Golosov, Andrei A, Dickson, Callum J, Velez-Vega, Camilo, Duca, José S, Vermaas, Josh V, Pang, Yui Tik, Acharya, Atanu, Parks, Jerry M, Smith, Jeremy C, Gumbart, James C
Published in Chemical Science (28.01.2021)
Published in Chemical Science (28.01.2021)
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Gaussian Accelerated Molecular Dynamics in NAMD
Pang, Yui Tik, Miao, Yinglong, Wang, Yi, McCammon, J. Andrew
Published in Journal of chemical theory and computation (10.01.2017)
Published in Journal of chemical theory and computation (10.01.2017)
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ACE2 glycans preferentially interact with SARS-CoV-2 over SARS-CoV
Acharya, Atanu, Lynch, Diane L, Pavlova, Anna, Pang, Yui Tik, Gumbart, James C
Published in Chemical communications (Cambridge, England) (15.06.2021)
Published in Chemical communications (Cambridge, England) (15.06.2021)
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N-terminal intrinsic disorder is an ancestral feature of Gγ subunits that influences the balance between different Gβγ signaling axes in yeast
Su, Xinya, Pang, Yui Tik, Li, Wei, Gumbart, J.C., Kelley, Joshua, Torres, Matthew
Published in The Journal of biological chemistry (01.08.2023)
Published in The Journal of biological chemistry (01.08.2023)
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BamB Stabilizes BamA's Laterally Open and Closed States
Ryoo, David, Kuo, Katie M., Zhang, Zijian, Tik Pang, Yui, Gumbart, James C.
Published in Biophysical journal (12.02.2021)
Published in Biophysical journal (12.02.2021)
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Energetics of Opening for the Glycosylated and Unglycosylated Forms of the SARS-CoV-2 S-Protein Trimer
Tik Pang, Yui, Acharya, Atanu, Lynch, Diane L., Gumbart, James C.
Published in Biophysical journal (12.02.2021)
Published in Biophysical journal (12.02.2021)
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Pore formation induced by nanoparticles binding to a lipid membrane
Pang, Yui Tik, Ge, Zhenpeng, Zhang, Bokai, Xiu, Peng, Li, Quan, Wang, Yi
Published in Nanoscale (14.04.2020)
Published in Nanoscale (14.04.2020)
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Generative β-hairpin design using a residue-based physicochemical property landscape
Satalkar, Vardhan, Degaga, Gemechis D., Li, Wei, Pang, Yui Tik, McShan, Andrew C., Gumbart, James C., Mitchell, Julie C., Torres, Matthew P.
Published in Biophysical journal (03.09.2024)
Published in Biophysical journal (03.09.2024)
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