Carlsson J - Search Results

1

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.

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

Complementarity between in silico and biophysical screening approaches in fragment-based lead discovery against the A(2A) adenosine receptor.

Chen D, Ranganathan A, IJzerman AP, Siegal G, Carlsson J. Chen D, et al. Among authors: carlsson j. J Chem Inf Model. 2013 Oct 28;53(10):2701-14. doi: 10.1021/ci4003156. Epub 2013 Sep 18. J Chem Inf Model. 2013. PMID: 23971943

6

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

7

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.

8

Preferential activation by galanin 1-15 fragment of the GalR1 protomer of a GalR1-GalR2 heteroreceptor complex.

Borroto-Escuela DO, Narvaez M, Di Palma M, Calvo F, Rodriguez D, Millon C, Carlsson J, Agnati LF, Garriga P, Díaz-Cabiale Z, Fuxe K. Borroto-Escuela DO, et al. Among authors: carlsson j. Biochem Biophys Res Commun. 2014 Sep 26;452(3):347-53. doi: 10.1016/j.bbrc.2014.08.061. Epub 2014 Aug 22. Biochem Biophys Res Commun. 2014. PMID: 25152404

9

Insights into the role of Asp79(2.50) in β2 adrenergic receptor activation from molecular dynamics simulations.

Ranganathan A, Dror RO, Carlsson J. Ranganathan A, et al. Among authors: carlsson j. Biochemistry. 2014 Nov 25;53(46):7283-96. doi: 10.1021/bi5008723. Epub 2014 Nov 12. Biochemistry. 2014. PMID: 25347607

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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