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Journal Articles
- 2021
[j6]Jon Kapla
, Ismael Rodriguez-Espigares, Flavio Ballante, Jana Selent, Jens Carlsson:
Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models? PLoS Comput. Biol. 17(5) (2021)- 2020
- [j5]Mariama Jaiteh, Ismael Rodriguez-Espigares, Jana Selent, Jens Carlsson:
Performance of virtual screening against GPCR homology models: Impact of template selection and treatment of binding site plasticity. PLoS Comput. Biol. 16(3) (2020) - 2018
- [j4]Axel Rudling, Adolfo Orro, Jens Carlsson:
Prediction of Ordered Water Molecules in Protein Binding Sites from Molecular Dynamics Simulations: The Impact of Ligand Binding on Hydration Networks. J. Chem. Inf. Model. 58(2): 350-361 (2018) - 2015
- [j3]David Rodríguez, Zhang-Guo Gao, Steven M. Moss, Kenneth A. Jacobson, Jens Carlsson:
Molecular Docking Screening Using Agonist-Bound GPCR Structures: Probing the A2A Adenosine Receptor. J. Chem. Inf. Model. 55(3): 550-563 (2015) - 2014
- [j2]David Rodríguez, Anirudh Ranganathan, Jens Carlsson:
Strategies for Improved Modeling of GPCR-Drug Complexes: Blind Predictions of Serotonin Receptors Bound to Ergotamine. J. Chem. Inf. Model. 54(7): 2004-2021 (2014) - 2013
- [j1]Dan Chen, Anirudh Ranganathan, Adriaan P. IJzerman, Gregg Siegal, Jens Carlsson:
Complementarity between in Silico and Biophysical Screening Approaches in Fragment-Based Lead Discovery against the A2A Adenosine Receptor. J. Chem. Inf. Model. 53(10): 2701-2714 (2013)
Coauthor Index
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