The goal of our research is to improve atomic level understanding of receptor-ligand interactions using computational models. Using physics-based methods such as molecular dynamics simulations and molecular docking, we focus on how small molecules interact with proteins and thereby modulate their function. In particular, we focus on membrane proteins such as G protein-coupled receptors (GPCRs) and ligand-gated ion channels (LGICs).

We are part of the Dept. of Biochemistry and Biophysics (DBB) at Stockholm university and the Center for Biomembrane Research (CBR). Our laboratory is located at the Science for Life Laboratory (SciLifeLab) in Stockholm.

Latest News!

• July, 2014: Press releases from Stockholm university and SciLifeLab about our top-ranked models in GPCR Dock 2013.

• July, 2014: New paper in Structure about structure-based discovery of selective GPCR ligands. link

• July, 2014: New paper in JCIM summarizing our participation in the GPCR Dock assessment. link

• July, 2014: Congratulations to David and Anirudh for their top ranked homology models in the GPCR Dock 2013 assessment for the serotonin receptors. Assessment results

• May, 2014: David Rodriguez receives a postdoctoral research grant from the Lawski foundation!

• May, 2014: Aitakin Ezzati joins the group for a project!

• January, 2014: Arian Eskafi joins the group for a project!

• December, 2013:  Anirudh’s paper “Complementarity between in Silico and Biophysical Screening Approaches in Fragment-Based Lead Discovery against the A2A Adenosine Receptor” (link) is highlighted on the Practical Fragments Blog.

• November, 2013: David Rodriguez in news paper EL PROGRESO, title of article: La medecina del future link

• November, 2013: Jens receives a VR research grant for young researchers (4.2M SEK).

• November, 2013: Axel Rudling (PhD student) joins the group.

• September, 2013: Several new publications during the last few months. Check out our in silico fragment-based screening against the A2A Adenosine receptor in JCIM. link

• November, 2012: News article in Naturvetaren about out research group.

• October, 2012: David Rodriguez (Postdoc) and Marco Gerolin (Master’s student) join the group.

• August, 2012: New paper published in i ACS Medicinal Chemistry letters.

• July, 2012: We have moved from the Arrhenius laboratories to the Science of Life Laboratories.

• March, 2012: Anirudh Ranganathan joins the group (PhD student)!

• January, 2012: Jens receives the Ingvar Carlsson Award (3M SEK).

• January, 2012: Our NCB paper is now highlighted by the Faculty of 1000.

• November, 2011: Highlight in Nature Reviews Drug Discovery about the NCB paper:
G protein-coupled receptors: Homology model allows effective virtual screening.

• November, 2011: Our recent Nature Chemical Biology paper is on the cover of the journals November Issue!

• Oktober, 2011: Curious wavefunction article about our NCB paper: The devil hasn’t left the details

• September, 2011: New publication in Nature Chemical Biology! link

• September, 2011: First day at work at the dept. biophysics and biochemistry at Stockholm university.

• August, 2011: New publication in Structure! The paper summarizes the results of the GPCR DOCK 2010 assessment. link

• April, 2011: We will move to the Department of Biochemistry and Biophysics at Stockholm University this summer (funded for another 3 years by the Knut and Alice Wallenberg foundation).

• Feb, 2011: The results of the GPCR DOCK 2010 competition have been announced. My blind prediction of the dopamine D3 receptor in complex with an antagonist was among the most accurate in the assessment.
• May, 2010: Our molecular docking screen against the Adenosine A2A receptor crystal structure is published in J Med Chem. link