Karanicolas, John

Macromolecular modeling and design in Rosetta: recent methods and frameworks

Leman, J. K., Weitzner, B. D., Lewis, S. M., Adolf-Bryfogle, J., Alam, N., Alford, R. F., Aprahamian, M., Baker, D., Barlow, K. A., Barth, P., et al. (2020) · Nature Methods

Protein Structure and DynamicsComputational Drug Discovery Methods

Cited by 888

Allostery in Its Many Disguises: From Theory to Applications

Wodak, S. J., Paci, E., Dokholyan, N. V., Berezovsky, I. N., Horovitz, A., Li, J., Hilser, V. J., Bahar, I., Karanicolas, J., Stock, G., et al. (2019) · Structure

Protein Structure and DynamicsReceptor Mechanisms and Signaling

Cited by 404

Rationalizing PROTAC-Mediated Ternary Complex Formation Using Rosetta

Bai, N., Miller, S. A., Andrianov, G. V., Yates, M., Kirubakaran, P., & Karanicolas, J. (2021) · Journal of Chemical Information and Modeling

Protein Degradation and InhibitorsComputational Drug Discovery Methods

Cited by 157

The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation

Xia, Y., DiPrimio, N., Keppel, T. R., Vo, B., Fraser, K., Battaile, K. P., Egan, C., Bystroff, C., Lovell, S., Weis, D. D., et al. (2013) · Journal of the American Chemical Society

Protein Structure and DynamicsBiochemical and Structural Characterization

Cited by 33

Full and partial agonism of a designed enzyme switch

Budiardjo, S. J., Licknack, T. J., Cory, M. B., Kapros, D., Roy, A., Lovell, S., Douglas, J., & Karanicolas, J. (2016) · ACS Synthetic Biology

Protein Structure and DynamicsBiochemical and Structural Characterization

Cited by 13

Novel Substrate Prediction for the TAM Family of RTKs Using Phosphoproteomics and Structure-Based Modeling

Widstrom, N. E., Andrianov, G. V., Heier, J. L., Heier, C., Karanicolas, J., & Parker, L. L. (2024) · ACS Chemical Biology

Computational Drug Discovery MethodsProtein Kinase Regulation and GTPase Signaling

Cited by 2