3DDPDs: describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors

por Gorostiola González, Marina, van den Broek, Remco L., Braun, Thomas G. M., Chatzopoulou, Magdalini, Jespers, Willem, IJzerman, Adriaan P., Heitman, Laura H., van Westen, Gerard J. P.
Publicado 2023

Cancer-Associated Mutations of the Adenosine A(2A) Receptor Have Diverse Influences on Ligand Binding and Receptor Functions

por Feng, Chenlin, Wang, Xuesong, Jespers, Willem, Liu, Rongfang, Zamarbide Losada, Sofía Denise, Gorostiola González, Marina, van Westen, Gerard J. P., Danen, Erik H. J., Heitman, Laura H.
Publicado 2022

Structural Insights into the Mechanisms of Action of Functionally Distinct Classes of Chikungunya Virus Nonstructural Protein 1 Inhibitors

por Kovacikova, Kristina, Gorostiola González, Marina, Jones, Rhian, Reguera, Juan, Gigante, Alba, Pérez-Pérez, María-Jesús, Pürstinger, Gerhard, Moesslacher, Julia, Langer, Thierry, Jeong, Lak Shin, Delang, Leen, Neyts, Johan, Snijder, Eric J., van Westen, Gerard J. P., van Hemert, Martijn J.
Publicado 2021