Jens Carlsson

According to our database, Jens Carlsson authored at least 7 papers between 2013 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2025

Rapid traversal of vast chemical space using machine learning-guided docking screens.

Andreas Luttens, Israel Cabeza de Vaca, Leonard Sparring, José M. Brea, Antón Leandro Martínez, Nour Aldin Kahlous, Dmytro S. Radchenko, Yurii S. Moroz, María Isabel Loza, Ulf Norinder, Jens Carlsson

Nat. Comput. Sci., April, 2025

2021

Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models?

Jon Kapla, Ismael Rodriguez-Espigares, Flavio Ballante, Jana Selent, Jens Carlsson

PLoS Comput. Biol., 2021

2020

Performance of virtual screening against GPCR homology models: Impact of template selection and treatment of binding site plasticity.

Mariama Jaiteh, Ismael Rodriguez-Espigares, Jana Selent, Jens Carlsson

PLoS Comput. Biol., 2020

2018

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

Axel Rudling, Adolfo Orro, Jens Carlsson

J. Chem. Inf. Model., 2018

2015

Molecular Docking Screening Using Agonist-Bound GPCR Structures: Probing the A_2A Adenosine Receptor.

David Rodríguez, Zhang-Guo Gao, Steven M. Moss, Kenneth A. Jacobson, Jens Carlsson

J. Chem. Inf. Model., 2015

2014

Strategies for Improved Modeling of GPCR-Drug Complexes: Blind Predictions of Serotonin Receptors Bound to Ergotamine.

David Rodríguez, Anirudh Ranganathan, Jens Carlsson

J. Chem. Inf. Model., 2014

2013

Complementarity between in Silico and Biophysical Screening Approaches in Fragment-Based Lead Discovery against the A_2A Adenosine Receptor.

Dan Chen, Anirudh Ranganathan, Adriaan P. IJzerman, Gregg Siegal, Jens Carlsson

J. Chem. Inf. Model., 2013