Carlsson J - Search Results

1

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

2

Predicting binding modes from free energy calculations.

Nervall M, Hanspers P, Carlsson J, Boukharta L, Aqvist J. Nervall M, et al. Among authors: carlsson j. J Med Chem. 2008 May 8;51(9):2657-67. doi: 10.1021/jm701218j. Epub 2008 Apr 12. J Med Chem. 2008. PMID: 18410080

3

Combining docking, molecular dynamics and the linear interaction energy method to predict binding modes and affinities for non-nucleoside inhibitors to HIV-1 reverse transcriptase.

Carlsson J, Boukharta L, Aqvist J. Carlsson J, et al. J Med Chem. 2008 May 8;51(9):2648-56. doi: 10.1021/jm7012198. Epub 2008 Apr 12. J Med Chem. 2008. PMID: 18410085

4

Structure-based discovery of A2A adenosine receptor ligands.

Carlsson J, Yoo L, Gao ZG, Irwin JJ, Shoichet BK, Jacobson KA. Carlsson J, et al. J Med Chem. 2010 May 13;53(9):3748-55. doi: 10.1021/jm100240h. J Med Chem. 2010. PMID: 20405927 Free PMC article.

5

Ligand discovery from a dopamine D3 receptor homology model and crystal structure.

Carlsson J, Coleman RG, Setola V, Irwin JJ, Fan H, Schlessinger A, Sali A, Roth BL, Shoichet BK. Carlsson J, et al. Nat Chem Biol. 2011 Sep 18;7(11):769-78. doi: 10.1038/nchembio.662. Nat Chem Biol. 2011. PMID: 21926995 Free PMC article.

6

Structure-activity relationships and molecular modeling of 1,2,4-triazoles as adenosine receptor antagonists.

Carlsson J, Tosh DK, Phan K, Gao ZG, Jacobson KA. Carlsson J, et al. ACS Med Chem Lett. 2012 Sep 13;3(9):715-720. doi: 10.1021/ml300097g. Epub 2012 Jul 30. ACS Med Chem Lett. 2012. PMID: 23342198 Free PMC article.

7

Structure-based discovery of antagonists of nuclear receptor LRH-1.

Benod C, Carlsson J, Uthayaruban R, Hwang P, Irwin JJ, Doak AK, Shoichet BK, Sablin EP, Fletterick RJ. Benod C, et al. Among authors: carlsson j. J Biol Chem. 2013 Jul 5;288(27):19830-44. doi: 10.1074/jbc.M112.411686. Epub 2013 May 10. J Biol Chem. 2013. PMID: 23667258 Free PMC article.

8

Strategies for improved modeling of GPCR-drug complexes: blind predictions of serotonin receptors bound to ergotamine.

Rodríguez D, Ranganathan A, Carlsson J. Rodríguez D, et al. Among authors: carlsson j. J Chem Inf Model. 2014 Jul 28;54(7):2004-21. doi: 10.1021/ci5002235. Epub 2014 Jul 17. J Chem Inf Model. 2014. PMID: 25030302

9

Structure-based discovery of selective serotonin 5-HT(1B) receptor ligands.

Rodríguez D, Brea J, Loza MI, Carlsson J. Rodríguez D, et al. Among authors: carlsson j. Structure. 2014 Aug 5;22(8):1140-1151. doi: 10.1016/j.str.2014.05.017. Epub 2014 Jul 17. Structure. 2014. PMID: 25043551 Free article.

10

Molecular docking screening using agonist-bound GPCR structures: probing the A2A adenosine receptor.

Rodríguez D, Gao ZG, Moss SM, Jacobson KA, Carlsson J. Rodríguez D, et al. Among authors: carlsson j. J Chem Inf Model. 2015 Mar 23;55(3):550-63. doi: 10.1021/ci500639g. Epub 2015 Feb 13. J Chem Inf Model. 2015. PMID: 25625646 Free PMC article.

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