SARS-CoV-2 Simulations go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome

por Zimmerman, Maxwell I., Bowman, Gregory
Publicado 2021

Conformational distributions of isolated myosin motor domains encode their mechanochemical properties

por Porter, Justin R, Meller, Artur, Zimmerman, Maxwell I, Greenberg, Michael J, Bowman, Gregory R
Publicado 2020

Deep learning the structural determinants of protein biochemical properties by comparing structural ensembles with DiffNets

por Ward, Michael D., Zimmerman, Maxwell I., Meller, Artur, Chung, Moses, Swamidass, S. J., Bowman, Gregory R.
Publicado 2021

SARS-CoV-2 Nsp16 activation mechanism and a cryptic pocket with pan-coronavirus antiviral potential

por Vithani, Neha, Ward, Michael D., Zimmerman, Maxwell I., Novak, Borna, Borowsky, Jonathan H., Singh, Sukrit, Bowman, Gregory R.
Publicado 2020

SARS-CoV-2 Nsp16 activation mechanism and a cryptic pocket with pan-coronavirus antiviral potential

por Vithani, Neha, Ward, Michael D., Zimmerman, Maxwell I., Novak, Borna, Borowsky, Jonathan H., Singh, Sukrit, Bowman, Gregory R.
Publicado 2021

Designing small molecules to target cryptic pockets yields both positive and negative allosteric modulators

por Hart, Kathryn M., Moeder, Katelyn E., Ho, Chris M. W., Zimmerman, Maxwell I., Frederick, Thomas E., Bowman, Gregory R.
Publicado 2017

Prediction of New Stabilizing Mutations Based on Mechanistic Insights from Markov State Models

por Zimmerman, Maxwell I., Hart, Kathryn M., Sibbald, Carrie A., Frederick, Thomas E., Jimah, John R., Knoverek, Catherine R., Tolia, Niraj H., Bowman, Gregory R.
Publicado 2017

A cryptic pocket in Ebola VP35 allosterically controls RNA binding

por 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.
Publicado 2022

Structure–function correlates of fibrinogen binding by Acinetobacter adhesins critical in catheter-associated urinary tract infections

por Tamadonfar, Kevin O., Di Venanzio, Gisela, Pinkner, Jerome S., Dodson, Karen W., Kalas, Vasilios, Zimmerman, Maxwell I., Bazan Villicana, Jesus, Bowman, Gregory R., Feldman, Mario F., Hultgren, Scott J.
Publicado 2023

Naturally Occurring Genetic Variants in the Oxytocin Receptor Alter Receptor Signaling Profiles

por Malik, Manasi, Ward, Michael D., Fang, Yingye, Porter, Justin R., Zimmerman, Maxwell I., Koelblen, Thomas, Roh, Michelle, Frolova, Antonina I., Burris, Thomas P., Bowman, Gregory R., Imoukhuede, Princess I., England, Sarah K.
Publicado 2021

The Cap-Snatching SFTSV Endonuclease Domain Is an Antiviral Target

por Wang, Wenjie, Shin, Woo-Jin, Zhang, Bojie, Choi, Younho, Yoo, Ji-Seung, Zimmerman, Maxwell I., Frederick, Thomas E., Bowman, Gregory R., Gross, Michael L., Leung, Daisy W., Jung, Jae U., Amarasinghe, Gaya K.
Publicado 2020

Apolipoprotein E4 has extensive conformational heterogeneity in lipid-free and lipid-bound forms

por 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
Publicado 2023

The SARS-CoV-2 nucleocapsid protein is dynamic, disordered, and phase separates with RNA

por Cubuk, Jasmine, Alston, Jhullian J., Incicco, J. Jeremías, Singh, Sukrit, Stuchell-Brereton, Melissa D., Ward, Michael D., Zimmerman, Maxwell I., Vithani, Neha, Griffith, Daniel, Wagoner, Jason A., Bowman, Gregory R., Hall, Kathleen B., Soranno, Andrea, Holehouse, Alex S.
Publicado 2021

SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome

por 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.
Publicado 2020

SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome

por 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.
Publicado 2021