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Former Employee. Graduate Studies; NE WGS Student

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1. SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome

   Journal Article

   Zimmerman, M. I.; Porter, J. R.; Ward, M. D.; Singh, S.; Vithani, N.; Meller, A.; Mallimadugula, U. L.; Kuhn, C. E.; Borowsky, J. H.; Wiewiora, R. P.; more...
   Nature Chemistry (2021)

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2. Site-specific lipidation enhances IFITM3 membrane interactions and antiviral activity

   Journal Article

   Garst, E. H.; Lee, H.; Das, T.; Bhattacharya, S.; Percher, A.; Wiewiora, R.; Witte, I. P.; Li, Y.; Peng, T.; Im, W.; more...
   ACS Chemical Biology (2021)

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3. What Markov state models can and cannot do: Correlation versus path-based observables in protein-folding models

   Journal Article

   Suárez, E.; Wiewiora, R. P.; Wehmeyer, C.; Noé, F.; Chodera, J. D.; Zuckerman, D. M.
   Journal of Chemical Theory and Computation (2021)

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