Prediction of Ordered Water Molecules in Protein Binding Sites from Molecular Dynamics Simulations: The Impact of Ligand Binding on Hydration Networks

por Rudling, Axel, Orro, Adolfo, Carlsson, Jens
Publicado 2018

Establishing mammalian GLUT kinetics and lipid composition influences in a reconstituted-liposome system

por Suades, Albert, Qureshi, Aziz, McComas, Sarah E., Coinçon, Mathieu, Rudling, Axel, Chatzikyriakidou, Yurie, Landreh, Michael, Carlsson, Jens, Drew, David
Publicado 2023

Structure-Based Discovery of Negative Allosteric Modulators of the Metabotropic Glutamate Receptor 5

por Kampen, Stefanie, Rodríguez, David, Jørgensen, Morten, Kruszyk-Kujawa, Monika, Huang, Xinyan, Collins, Michael, Boyle, Noel, Maurel, Damien, Rudling, Axel, Lebon, Guillaume, Carlsson, Jens
Publicado 2022

Fragment optimization for GPCRs by molecular dynamics free energy calculations: Probing druggable subpockets of the A(2A) adenosine receptor binding site

por Matricon, Pierre, Ranganathan, Anirudh, Warnick, Eugene, Gao, Zhan-Guo, Rudling, Axel, Lambertucci, Catia, Marucci, Gabriella, Ezzati, Aitakin, Jaiteh, Mariama, Dal Ben, Diego, Jacobson, Kenneth A., Carlsson, Jens
Publicado 2017