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Jens Carlsson - Publications

Affiliations: 
Institute for cell and molecular biology Uppsala University, Uppsala, Uppsala län, Sweden 
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27 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Jacobson KA, Gao ZG, Matricon P, Eddy MT, Carlsson J. A adenosine receptor antagonists: From caffeine to selective non-xanthines. British Journal of Pharmacology. PMID 32424811 DOI: 10.1111/bph.15103  0.4
2019 Ballante F, Rudling A, Zeifman A, Luttens A, Vo DD, Irwin JJ, Kihlberg J, Brea JM, Loza MI, Carlsson J. Docking finds GPCR ligands in dark chemical matter. Journal of Medicinal Chemistry. PMID 31846328 DOI: 10.1021/acs.jmedchem.9b01560  0.4
2018 Kennedy AJ, Ballante F, Johansson JR, Milligan G, Sundström L, Nordqvist A, Carlsson J. Structural Characterization of Agonist Binding to Protease-Activated Receptor 2 through Mutagenesis and Computational Modeling. Acs Pharmacology & Translational Science. 1: 119-133. PMID 32219208 DOI: 10.1021/acsptsci.8b00019  0.32
2018 Lundgren CAK, Sjöstrand D, Biner O, Bennett M, Rudling A, Johansson AL, Brzezinski P, Carlsson J, von Ballmoos C, Högbom M. Scavenging of superoxide by a membrane-bound superoxide oxidase. Nature Chemical Biology. PMID 29915379 DOI: 10.1038/s41589-018-0072-x  0.32
2018 Jaiteh M, Zeifman A, Saarinen M, Svenningsson P, Brea JM, Loza MI, Carlsson J. Docking screens for dual inhibitors of disparate drug targets for Parkinson's disease. Journal of Medicinal Chemistry. PMID 29792714 DOI: 10.1021/acs.jmedchem.8b00204  0.32
2018 Rudling A, Orro A, Carlsson J. Prediction of Ordered Water Molecules in Protein Binding Sites from Molecular Dynamics Simulations: The Impact of Ligand Binding on Hydration Networks. Journal of Chemical Information and Modeling. 58: 350-361. PMID 29308882 DOI: 10.1021/acs.jcim.7b00520  0.32
2017 Rudling A, Gustafsson R, Almlöf I, Homan EJ, Scobie M, Warpman Berglund U, Helleday T, Stenmark P, Carlsson J. Fragment-based discovery and optimization of enzyme inhibitors by docking of commercial chemical space. Journal of Medicinal Chemistry. PMID 28929756 DOI: 10.1021/acs.jmedchem.7b01006  0.32
2017 Männel B, Jaiteh M, Zeifman A, Randakova A, Möller D, Hübner H, Gmeiner P, Carlsson J. Structure-Guided Screening for Functionally Selective DDopamine Receptor Ligands from a Virtual Chemical Library. Acs Chemical Biology. 12: 2652-2661. PMID 28846380 DOI: 10.1021/acschembio.7b00493  0.32
2017 Petersen J, Wright SC, Rodríguez D, Matricon P, Lahav N, Vromen A, Friedler A, Strömqvist J, Wennmalm S, Carlsson J, Schulte G. Agonist-induced dimer dissociation as a macromolecular step in G protein-coupled receptor signaling. Nature Communications. 8: 226. PMID 28790300 DOI: 10.1038/s41467-017-00253-9  0.36
2017 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. Fragment optimization for GPCRs by molecular dynamics free energy calculations: Probing druggable subpockets of the A 2A adenosine receptor binding site. Scientific Reports. 7: 6398. PMID 28743961 DOI: 10.1038/s41598-017-04905-0  0.4
2016 Ranganathan A, Heine P, Rudling A, Plückthun A, Kummer L, Carlsson J. Ligand discovery for a peptide-binding GPCR by structure-based screening of fragment- and lead-like chemical libraries. Acs Chemical Biology. PMID 28032980 DOI: 10.1021/acschembio.6b00646  0.32
2016 Rodriguez D, Chakraborty S, Warnick E, Crane S, Gao ZG, O'Connor RD, Jacobson KA, Carlsson J. Structure-based screening of unchartered chemical space for atypical adenosine receptor agonists. Acs Chemical Biology. PMID 27439119 DOI: 10.1021/acschembio.6b00357  0.4
2015 Ranganathan A, Stoddart LA, Hill SJ, Carlsson J. Fragment-based discovery of subtype selective adenosine receptor ligands from homology models. Journal of Medicinal Chemistry. PMID 26592528 DOI: 10.1021/acs.jmedchem.5b01120  0.4
2015 Rodríguez D, Ranganathan A, Carlsson J. Discovery of GPCR Ligands by Molecular Docking Screening: Novel Opportunities Provided by Crystal Structures. Current Topics in Medicinal Chemistry. 15: 2484-503. PMID 26126906  0.4
2015 Rodríguez D, Gao ZG, Moss SM, Jacobson KA, Carlsson J. Molecular docking screening using agonist-bound GPCR structures: probing the A2A adenosine receptor. Journal of Chemical Information and Modeling. 55: 550-63. PMID 25625646 DOI: 10.1021/ci500639g  0.4
2014 Ranganathan A, Dror RO, Carlsson J. Insights into the role of Asp79(2.50) in β2 adrenergic receptor activation from molecular dynamics simulations. Biochemistry. 53: 7283-96. PMID 25347607 DOI: 10.1021/bi5008723  0.4
2014 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. Preferential activation by galanin 1-15 fragment of the GalR1 protomer of a GalR1-GalR2 heteroreceptor complex. Biochemical and Biophysical Research Communications. 452: 347-53. PMID 25152404 DOI: 10.1016/j.bbrc.2014.08.061  0.4
2014 Rodríguez D, Brea J, Loza MI, Carlsson J. Structure-based discovery of selective serotonin 5-HT(1B) receptor ligands. Structure (London, England : 1993). 22: 1140-51. PMID 25043551 DOI: 10.1016/j.str.2014.05.017  0.36
2014 Rodríguez D, Ranganathan A, Carlsson J. Strategies for improved modeling of GPCR-drug complexes: blind predictions of serotonin receptors bound to ergotamine. Journal of Chemical Information and Modeling. 54: 2004-21. PMID 25030302 DOI: 10.1021/ci5002235  0.4
2013 Chen D, Ranganathan A, IJzerman AP, Siegal G, Carlsson J. Complementarity between in silico and biophysical screening approaches in fragment-based lead discovery against the A(2A) adenosine receptor. Journal of Chemical Information and Modeling. 53: 2701-14. PMID 23971943 DOI: 10.1021/ci4003156  0.4
2013 Heusser SA, Howard RJ, Borghese CM, Cullins MA, Broemstrup T, Lee US, Lindahl E, Carlsson J, Harris RA. Functional validation of virtual screening for novel agents with general anesthetic action at ligand-gated ion channels. Molecular Pharmacology. 84: 670-8. PMID 23950219 DOI: 10.1124/mol.113.087692  0.4
2013 Johansson AL, Högbom M, Carlsson J, Gennis RB, Brzezinski P. Role of aspartate 132 at the orifice of a proton pathway in cytochrome c oxidase. Proceedings of the National Academy of Sciences of the United States of America. 110: 8912-7. PMID 23674679 DOI: 10.1073/pnas.1303954110  0.4
2013 Benod C, Carlsson J, Uthayaruban R, Hwang P, Irwin JJ, Doak AK, Shoichet BK, Sablin EP, Fletterick RJ. Structure-based discovery of antagonists of nuclear receptor LRH-1. The Journal of Biological Chemistry. 288: 19830-44. PMID 23667258 DOI: 10.1074/jbc.M112.411686  0.4
2013 Johansson AL, Carlsson J, Högbom M, Hosler JP, Gennis RB, Brzezinski P. Proton uptake and pKa changes in the uncoupled Asn139Cys variant of cytochrome c oxidase. Biochemistry. 52: 827-36. PMID 23305515 DOI: 10.1021/bi301597a  0.4
2012 Carlsson J, Tosh DK, Phan K, Gao ZG, Jacobson KA. Structure-activity relationships and molecular modeling of 1,2,4-triazoles as adenosine receptor antagonists. Acs Medicinal Chemistry Letters. 3: 715-720. PMID 23342198 DOI: 10.1021/ml300097g  0.4
2011 Carlsson J, Coleman RG, Setola V, Irwin JJ, Fan H, Schlessinger A, Sali A, Roth BL, Shoichet BK. Ligand discovery from a dopamine D3 receptor homology model and crystal structure. Nature Chemical Biology. 7: 769-78. PMID 21926995 DOI: 10.1038/nchembio.662  0.4
2010 Carlsson J, Yoo L, Gao ZG, Irwin JJ, Shoichet BK, Jacobson KA. Structure-based discovery of A2A adenosine receptor ligands. Journal of Medicinal Chemistry. 53: 3748-55. PMID 20405927 DOI: 10.1021/jm100240h  0.4
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