Two steps forward, one step back: successes and failures in structure-based discovery of GPCR ligands

由 Carlsson, Jens
發表在 Springerplus (2015)

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

由 Rudling, Axel, Orro, Adolfo, Carlsson, Jens
發表在 J Chem Inf Model (2018)

Identification of ligand-specific G protein-coupled receptor states and prediction of downstream efficacy via data-driven modeling

由 Fleetwood, Oliver, Carlsson, Jens, Delemotte, Lucie
發表在 eLife (2021)

Comparative population genetics of two invading ticks: evidence of the ecological mechanisms underlying tick range expansions

由 Nadolny, Robyn, Gaff, Holly, Carlsson, Jens, Gauthier, David
發表在 Infect Genet Evol (2015)

Energy Landscapes Reveal Agonist Control of G Protein-Coupled Receptor Activation via Microswitches

由 Fleetwood, Oliver, Matricon, Pierre, Carlsson, Jens, Delemotte, Lucie
發表在 Biochemistry (2020)

Next Gen Pop Gen: implementing a high-throughput approach to population genetics in boarfish (Capros aper)

由 Farrell, Edward D., Carlsson, Jeanette E. L., Carlsson, Jens
發表在 R Soc Open Sci (2016)

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

由 Jaiteh, Mariama, Rodríguez-Espigares, Ismael, Selent, Jana, Carlsson, Jens
發表在 PLoS Comput Biol (2020)

Can molecular dynamics simulations improve the structural accuracy and virtual screening performance of GPCR models?

由 Kapla, Jon, Rodríguez-Espigares, Ismael, Ballante, Flavio, Selent, Jana, Carlsson, Jens
發表在 PLoS Comput Biol (2021)

Role of aspartate 132 at the orifice of a proton pathway in cytochrome c oxidase

由 Johansson, Ann-Louise, Högbom, Martin, Carlsson, Jens, Gennis, Robert B., Brzezinski, Peter
出版 2013

Structure–Activity Relationships and Molecular Modeling of 1,2,4-Triazoles as Adenosine Receptor Antagonists

由 Carlsson, Jens, Tosh, Dilip K., Phan, Khai, Gao, Zhan-Guo, Jacobson, Kenneth A.
出版 2012

Molecular Docking Screening Using Agonist-Bound GPCR Structures: Probing the A(2A) Adenosine Receptor

由 Rodríguez, David, Gao, Zhang-Guo, Moss, Steven M., Jacobson, Kenneth A., Carlsson, Jens
發表在 J Chem Inf Model (2015)

Population structure of Bathymodiolus manusensis, a deep-sea hydrothermal vent-dependent mussel from Manus Basin, Papua New Guinea

由 Thaler, Andrew D., Saleu, William, Carlsson, Jens, Schultz, Thomas F., Van Dover, Cindy L.
發表在 PeerJ (2017)

Identifying spawning sites and other critical habitat in lotic systems using eDNA “snapshots”: A case study using the sea lamprey Petromyzon marinus L.

由 Bracken, Fiona S. A., Rooney, Sean M., Kelly‐Quinn, Mary, King, James J., Carlsson, Jens
發表在 Ecol Evol (2018)

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

由 Jaiteh, Mariama, Zeifman, Alexey, Saarinen, Marcus, Svenningsson, Per, Bréa, Jose, Loza, Maria Isabel, Carlsson, Jens
發表在 J Med Chem (2018)

Investigating a simplified method for noninvasive genetic sampling in East African mammals using silica dried scat swabs

由 Tighe, Andrew J., Overby, Sarah, Thurman, Kiera, Gandola, Robert, Fulanda, Bernerd, Byrne, John, Carlsson, Jens
發表在 Ecol Evol (2020)

Ligand design by targeting a binding site water

由 Matricon, Pierre, Suresh, R. Rama, Gao, Zhan-Guo, Panel, Nicolas, Jacobson, Kenneth A., Carlsson, Jens
發表在 Chem Sci (2020)

Structure-Based Discovery of A(2A) Adenosine Receptor Ligands

由 Carlsson, Jens, Yoo, Lena, Gao, Zhan-Guo, Irwin, John J., Shoichet, Brian K., Jacobson, Kenneth A.
出版 2010

Structural Characterization of Agonist Binding to Protease-Activated Receptor 2 through Mutagenesis and Computational Modeling

由 Kennedy, Amanda J., Ballante, Flavio, Johansson, Johan R., Milligan, Graeme, Sundström, Linda, Nordqvist, Anneli, Carlsson, Jens
發表在 ACS Pharmacol Transl Sci (2018)

Disruption of A2AR-D2R Heteroreceptor Complexes After A2AR Transmembrane 5 Peptide Administration Enhances Cocaine Self-Administration in Rats

由 Borroto-Escuela, Dasiel O., Wydra, Karolina, Li, Xiang, Rodriguez, David, Carlsson, Jens, Jastrzębska, Joanna, Filip, Malgorzata, Fuxe, Kjell
發表在 Mol Neurobiol (2018)

Structure-Based Screening of Uncharted Chemical Space for Atypical Adenosine Receptor Agonists

由 Rodríguez, David, Chakraborty, Saibal, Warnick, Eugene, Crane, Steven, Gao, Zhan-Guo, O’Connor, Robert, Jacobson, Kenneth A., Carlsson, Jens
發表在 ACS Chem Biol (2016)