A Conserved Local Structural Motif Controls the Kinetics of PTP1B Catalysis

por Yeh, Christine Y., Izaguirre, Jesus A., Greisman, Jack B., Willmore, Lindsay, Maragakis, Paul, Shaw, David E.
Publicado 2023

Targeted Protein Degradation: Advances, Challenges, and Prospects for Computational Methods

por Mostofian, Barmak, Martin, Holli-Joi, Razavi, Asghar, Patel, Shivam, Allen, Bryce, Sherman, Woody, Izaguirre, Jesus A
Publicado 2023

AWE-WQ: Fast-Forwarding Molecular Dynamics Using the Accelerated Weighted Ensemble

por Abdul-Wahid, Badi’, Feng, Haoyun, Rajan, Dinesh, Costaouec, Ronan, Darve, Eric, Thain, Douglas, Izaguirre, Jesús A.
Publicado 2014

Characterization of the Anopheles gambiae octopamine receptor and discovery of potential agonists and antagonists using a combined computational-experimental approach

por Kastner, Kevin W, Shoue, Douglas A, Estiu, Guillermina L, Wolford, Julia, Fuerst, Megan F, Markley, Lowell D, Izaguirre, Jesús A, McDowell, Mary Ann
Publicado 2014

Identification of novel arthropod vector G protein-coupled receptors

por Nowling, Ronald J, Abrudan, Jenica L, Shoue, Douglas A, Abdul-Wahid, Badi’, Wadsworth, Mariha, Stayback, Gwen, Collins, Frank H, McDowell, Mary Ann, Izaguirre, Jesús A
Publicado 2013

Modeling Conformational Ensembles of Slow Functional Motions in Pin1-WW

por Morcos, Faruck, Chatterjee, Santanu, McClendon, Christopher L., Brenner, Paul R., López-Rendón, Roberto, Zintsmaster, John, Ercsey-Ravasz, Maria, Sweet, Christopher R., Jacobson, Matthew P., Peng, Jeffrey W., Izaguirre, Jesús A.
Publicado 2010

Predicting the structural basis of targeted protein degradation by integrating molecular dynamics simulations with structural mass spectrometry

por Dixon, Tom, MacPherson, Derek, Mostofian, Barmak, Dauzhenka, Taras, Lotz, Samuel, McGee, Dwight, Shechter, Sharon, Shrestha, Utsab R., Wiewiora, Rafal, McDargh, Zachary A., Pei, Fen, Pal, Rajat, Ribeiro, João V., Wilkerson, Tanner, Sachdeva, Vipin, Gao, Ning, Jain, Shourya, Sparks, Samuel, Li, Yunxing, Vinitsky, Alexander, Zhang, Xin, Razavi, Asghar M., Kolossváry, István, Imbriglio, Jason, Evdokimov, Artem, Bergeron, Louise, Zhou, Wenchang, Adhikari, Jagat, Ruprecht, Benjamin, Dickson, Alex, Xu, Huafeng, Sherman, Woody, Izaguirre, Jesus A.
Publicado 2022