SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome by Zimmerman, Maxwell I., Porter, Justin R., Ward, Michael D., Singh, Sukrit, Vithani, Neha, Meller, Artur, Mallimadugula, Upasana L., Kuhn, Catherine E., Borowsky, Jonathan H., Wiewiora, Rafal P., Hurley, Matthew F. D., Harbison, Aoife M., Fogarty, Carl A., Coffland, Joseph E., Fadda, Elisa, Voelz, Vincent A., Chodera, John D., Bowman, Gregory R.

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A cryptic pocket in Ebola VP35 allosterically controls RNA binding by Cruz, Matthew A., Frederick, Thomas E., Mallimadugula, Upasana L., Singh, Sukrit, Vithani, Neha, Zimmerman, Maxwell I., Porter, Justin R., Moeder, Katelyn E., Amarasinghe, Gaya K., Bowman, Gregory R.

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Opening of a cryptic pocket in β-lactamase increases penicillinase activity by Knoverek, Catherine R., Mallimadugula, Upasana L., Singh, Sukrit, Rennella, Enrico, Frederick, Thomas E., Yuwen, Tairan, Raavicharla, Shreya, Kay, Lewis E., Bowman, Gregory R.

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Accounting for Fast vs Slow Exchange in Single Molecule FRET Experiments Reveals Hidden Conformational States by Miller, Justin J., Mallimadugula, Upasana L., Zimmerman, Maxwell I., Stuchell-Brereton, Melissa D., Soranno, Andrea, Bowman, Gregory R.

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Apolipoprotein E4 has extensive conformational heterogeneity in lipid-free and lipid-bound forms by Stuchell-Brereton, Melissa D, Zimmerman, Maxwell I, Miller, Justin J, Mallimadugula, Upasana L, Incicco, J Jeremías, Roy, Debjit, Smith, Louis G, Cubuk, Jasmine, Baban, Berevan, DeKoster, Gregory T, Frieden, Carl, Bowman, Gregory R, Soranno, Andrea

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Single-molecule spectroscopy of Apolipoprotein E reveals a complex conformational ensemble by Stuchell-Brereton, Melissa D., Zimmerman, Maxwell I., Miller, Justin J., Mallimadugula, Upasana L., Incicco, Juan J., Roy, Debjit, Smith, Louis G., Cubuk, Jasmine, Baban, Berevan, DeKoster, Gregory T., Frieden, Carl, Bowman, Gregory R., Soranno, Andrea

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Parallel path mechanisms lead to nonmonotonic force-velocity curves and an optimum load for molecular motor function by Mallimadugula, Upasana L, Galburt, Eric A

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A Parallel Ratchet-Stroke Mechanism Leads to an Optimum Force for Molecular Motor Function by Mallimadugula, Upasana L., Galburt, Eric A.

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Are Cryptic Pockets in β-lactamases Functional? by Knoverek, Catherine R., Raavicharla, Shreya, Porter, Justin R., Mallimadugula, Upasana L., Wood, Emily, Bowman, Gregory R.

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Single-molecule fluorescence spectroscopy of apolipoprotein E by Stuchell-Brereton, Melissa D., Zimmerman, Maxwell I., Mallimadugula, Upasana L., Incicco, J. Jeremias, Roy, Debjit, Baban, Berevan, DeKoster, Gregory T., Bowman, Gregory, Frieden, Carl, Soranno, Andrea

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SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome by Zimmerman, Maxwell I., Porter, Justin R., Ward, Michael D., Singh, Sukrit, Vithani, Neha, Meller, Artur, Mallimadugula, Upasana L., Kuhn, Catherine E., Borowsky, Jonathan H., Wiewiora, Rafal P., Hurley, Matthew F. D., Harbison, Aoife M, Fogarty, Carl A, Coffland, Joseph E., Fadda, Elisa, Voelz, Vincent A., Chodera, John D., Bowman, Gregory R.

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SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome by Zimmerman, Maxwell I, Porter, Justin R, Ward, Michael D, Singh, Sukrit, Vithani, Neha, Meller, Artur, Mallimadugula, Upasana L, Kuhn, Catherine E, Borowsky, Jonathan H, Wiewiora, Rafal P, Hurley, Matthew F D, Harbison, Aoife M, Fogarty, Carl A, Coffland, Joseph E, Fadda, Elisa, Voelz, Vincent A, Chodera, John D, Bowman, Gregory R

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