Carlsson J - Search Results

1

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

Jaiteh M, Rodríguez-Espigares I, Selent J, Carlsson J. Jaiteh M, et al. Among authors: carlsson j. PLoS Comput Biol. 2020 Mar 13;16(3):e1007680. doi: 10.1371/journal.pcbi.1007680. eCollection 2020 Mar. PLoS Comput Biol. 2020. PMID: 32168319 Free PMC article.

2

Discovery of GPCR Ligands by Molecular Docking Screening: Novel Opportunities Provided by Crystal Structures.

Rodríguez D, Ranganathan A, Carlsson J. Rodríguez D, et al. Among authors: carlsson j. Curr Top Med Chem. 2015;15(24):2484-503. doi: 10.2174/1568026615666150701112853. Curr Top Med Chem. 2015. PMID: 26126906 Review.

3

Ligand Discovery for a Peptide-Binding GPCR by Structure-Based Screening of Fragment- and Lead-Like Chemical Libraries.

Ranganathan A, Heine P, Rudling A, Plückthun A, Kummer L, Carlsson J. Ranganathan A, et al. Among authors: carlsson j. ACS Chem Biol. 2017 Mar 17;12(3):735-745. doi: 10.1021/acschembio.6b00646. Epub 2017 Jan 24. ACS Chem Biol. 2017. PMID: 28032980

4

Fragment optimization for GPCRs by molecular dynamics free energy calculations: Probing druggable subpockets of the A _2A adenosine receptor binding site.

Matricon P, Ranganathan A, Warnick E, Gao ZG, Rudling A, Lambertucci C, Marucci G, Ezzati A, Jaiteh M, Dal Ben D, Jacobson KA, Carlsson J. Matricon P, et al. Among authors: carlsson j. Sci Rep. 2017 Jul 25;7(1):6398. doi: 10.1038/s41598-017-04905-0. Sci Rep. 2017. PMID: 28743961 Free PMC article.

5

Structure-Guided Screening for Functionally Selective D₂ Dopamine Receptor Ligands from a Virtual Chemical Library.

Männel B, Jaiteh M, Zeifman A, Randakova A, Möller D, Hübner H, Gmeiner P, Carlsson J. Männel B, et al. Among authors: carlsson j. ACS Chem Biol. 2017 Oct 20;12(10):2652-2661. doi: 10.1021/acschembio.7b00493. Epub 2017 Sep 19. ACS Chem Biol. 2017. PMID: 28846380

6

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

Rudling A, Orro A, Carlsson J. Rudling A, et al. Among authors: carlsson j. J Chem Inf Model. 2018 Feb 26;58(2):350-361. doi: 10.1021/acs.jcim.7b00520. Epub 2018 Feb 5. J Chem Inf Model. 2018. PMID: 29308882 Free PMC article.

7

Docking Screens for Dual Inhibitors of Disparate Drug Targets for Parkinson's Disease.

Jaiteh M, Zeifman A, Saarinen M, Svenningsson P, Bréa J, Loza MI, Carlsson J. Jaiteh M, et al. Among authors: carlsson j. J Med Chem. 2018 Jun 28;61(12):5269-5278. doi: 10.1021/acs.jmedchem.8b00204. Epub 2018 Jun 15. J Med Chem. 2018. PMID: 29792714 Free PMC article.

8

Mapping the Interface of a GPCR Dimer: A Structural Model of the A_2A Adenosine and D₂ Dopamine Receptor Heteromer.

Borroto-Escuela DO, Rodriguez D, Romero-Fernandez W, Kapla J, Jaiteh M, Ranganathan A, Lazarova T, Fuxe K, Carlsson J. Borroto-Escuela DO, et al. Among authors: carlsson j. Front Pharmacol. 2018 Aug 30;9:829. doi: 10.3389/fphar.2018.00829. eCollection 2018. Front Pharmacol. 2018. PMID: 30214407 Free PMC article.

9

Docking Finds GPCR Ligands in Dark Chemical Matter.

Ballante F, Rudling A, Zeifman A, Luttens A, Vo DD, Irwin JJ, Kihlberg J, Brea J, Loza MI, Carlsson J. Ballante F, et al. Among authors: carlsson j. J Med Chem. 2020 Jan 23;63(2):613-620. doi: 10.1021/acs.jmedchem.9b01560. Epub 2020 Jan 13. J Med Chem. 2020. PMID: 31846328

10

The European Research Network on Signal Transduction (ERNEST): Toward a Multidimensional Holistic Understanding of G Protein-Coupled Receptor Signaling.

Sommer ME, Selent J, Carlsson J, De Graaf C, Gloriam DE, Keseru GM, Kosloff M, Mordalski S, Rizk A, Rosenkilde MM, Sotelo E, Tiemann JKS, Tobin A, Vardjan N, Waldhoer M, Kolb P. Sommer ME, et al. Among authors: carlsson j. ACS Pharmacol Transl Sci. 2020 Mar 31;3(2):361-370. doi: 10.1021/acsptsci.0c00024. eCollection 2020 Apr 10. ACS Pharmacol Transl Sci. 2020. PMID: 32296774 Free PMC article.

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