about
Structures of Mycobacterium tuberculosis 1-deoxy-D-xylulose-5-phosphate reductoisomerase provide new insights into catalysisProton binding to proteins: pK(a) calculations with explicit and implicit solvent models.Ligand discovery from a dopamine D3 receptor homology model and crystal structureActive site of epoxide hydrolases revisited: a noncanonical residue in potato StEH1 promotes both formation and breakdown of the alkylenzyme intermediate.Structure-based discovery of A2A adenosine receptor ligands.Complementarity between in silico and biophysical screening approaches in fragment-based lead discovery against the A(2A) adenosine receptor.Molecular docking screening using agonist-bound GPCR structures: probing the A2A adenosine receptor.Discovery of GPCR Ligands by Molecular Docking Screening: Novel Opportunities Provided by Crystal Structures.Fragment-Based Discovery of Subtype-Selective Adenosine Receptor Ligands from Homology Models.Structure-Based Screening of Uncharted Chemical Space for Atypical Adenosine Receptor Agonists.Ligand Discovery for a Peptide-Binding GPCR by Structure-Based Screening of Fragment- and Lead-Like Chemical Libraries.Understanding the Role of GPCR Heteroreceptor Complexes in Modulating the Brain Networks in Health and DiseaseStructure-activity relationships and molecular modeling of 1,2,4-triazoles as adenosine receptor antagonistsRole of aspartate 132 at the orifice of a proton pathway in cytochrome c oxidase.Structure-based discovery of antagonists of nuclear receptor LRH-1.Functional validation of virtual screening for novel agents with general anesthetic action at ligand-gated ion channelsFragment optimization for GPCRs by molecular dynamics free energy calculations: Probing druggable subpockets of the A 2A adenosine receptor binding site.Two steps forward, one step back: successes and failures in structure-based discovery of GPCR ligands.Agonist-induced dimer dissociation as a macromolecular step in G protein-coupled receptor signaling.Predicting binding modes from free energy calculations.Prediction of ordered water molecules in protein binding sites from molecular dynamics simulations: The impact of ligand binding on hydration networks.Fragment-Based Discovery and Optimization of Enzyme Inhibitors by Docking of Commercial Chemical Space.Structure-Guided Screening for Functionally Selective D2 Dopamine Receptor Ligands from a Virtual Chemical Library.Disruption of A2AR-D2R Heteroreceptor Complexes After A2AR Transmembrane 5 Peptide Administration Enhances Cocaine Self-Administration in Rats.Preferential activation by galanin 1-15 fragment of the GalR1 protomer of a GalR1-GalR2 heteroreceptor complex.The tyrosine Y2502.39 in Frizzled 4 defines a conserved motif important for structural integrity of the receptor and recruitment of Disheveled.Structure-Based Discovery of Selective Serotonin 5-HT 1B Receptor LigandsStructural Characterization of Agonist Binding to Protease-Activated Receptor 2 through Mutagenesis and Computational ModelingDocking Screens for Dual Inhibitors of Disparate Drug Targets for Parkinson's DiseaseMapping the Interface of a GPCR Dimer: A Structural Model of the A2A Adenosine and D2 Dopamine Receptor Heteromer.Calculations of solute and solvent entropies from molecular dynamics simulationsContinuum solvation models in the linear interaction energy methodAbsolute and relative entropies from computer simulation with applications to ligand bindingCombining docking, molecular dynamics and the linear interaction energy method to predict binding modes and affinities for non-nucleoside inhibitors to HIV-1 reverse transcriptaseAbsolute hydration entropies of alkali metal ions from molecular dynamics simulationsInsights into the role of Asp79(2.50) in β2 adrenergic receptor activation from molecular dynamics simulationsProton uptake and pKa changes in the uncoupled Asn139Cys variant of cytochrome c oxidaseCharges for Large Scale Binding Free Energy Calculations with the Linear Interaction Energy MethodImproving the Accuracy of the Linear Interaction Energy Method for Solvation Free EnergiesStrategies for improved modeling of GPCR-drug complexes: blind predictions of serotonin receptors bound to ergotamine
P50
Q27644732-5BB89DAB-542A-42AA-BDFB-F2EF68A80B75Q30341064-82BDB11A-5944-40CA-8D53-A5ADB0890BADQ31031038-4FC7CA41-FF18-4887-80F0-0CE64986F5CDQ33272450-910CDC97-4C84-4687-9549-7B5158EE0F9AQ33560239-AAAD44E2-2DF1-48BD-9697-1A493E071277Q34968064-DBD7BA2A-27D1-4A52-AC37-2EBD6B80F1DEQ35549895-FEFB04A0-A583-4EB7-909A-2EE0B1739815Q35679048-AAF023DC-ECEB-4DC2-83B2-5BB296D74FADQ35848158-66E3EEB0-8895-40D2-9290-99A3DB743645Q36083075-F72DE5D0-64AE-47C1-B280-3B20A215FD38Q36235361-A0FCC6A4-48BA-4DA9-8C0E-2BA4D5F72499Q36300230-8181B47D-B15E-408A-ACCE-73424D231C03Q36546173-A926CC87-7EC4-49B7-BD59-06AFEF3AA5FBQ36895569-C4BA5492-EB17-43E5-B98D-5218A2BEE423Q37000608-C2BE4397-D632-4135-8EF0-DCE415FB0A65Q37252068-416C1877-6F86-48EA-815C-B8BCEC7DFA8FQ38661496-B9475CF2-E01C-45F4-A53B-4A7DC2DB37E8Q39176441-5648BCC6-FF8A-489B-95AC-CC3F991E7756Q41308798-F28D6352-BEB8-439B-B652-BBE723E64C68Q44214831-09EC036E-BD3F-4E2C-83AA-E87C43280F81Q47225368-F3E103DA-9604-4531-9083-81730FD1518EQ47773705-2952C44C-B4DD-4AFA-B331-8626BF4A95F0Q47897363-4EB9D4A7-712B-48ED-BC12-C0697E87E8E9Q48042972-8F8347A1-9982-4BCE-BB55-9DB604727C81Q48227093-F7A6EC14-9E59-4923-B20E-F60404097C6EQ50912612-296462BE-BEF7-4205-920F-7D2A4265B3B9Q56992619-98078CF7-0E5D-4353-8C17-6DC0B4779C96Q60017625-D042DCC2-82EF-4A67-8F54-E7E77650B773Q64869688-F304E9B3-A973-46CD-A228-52CAA6A0C140Q64898242-C22DBDB8-AFE5-44FD-9FE4-1BAA3A02D83EQ79375052-8E3AEE68-6FE5-42FD-AE02-C62AB50157C4Q79789831-857523E1-604E-4092-A52E-4DEF474E0EE7Q79937033-D916567C-D87D-4FE9-B9C8-A69CE2FF72C1Q81077286-2CAE7652-BA43-48D1-93D9-76D32AC20BB1Q84181011-A45A7485-502C-45C2-8791-1503F3E18FA4Q85862103-1F073EB5-2993-44F2-BA08-AD691A80F134Q85887269-AFD6E4E9-2E4F-46F5-A89B-2702A4389E00Q86813447-8DE118DA-A0A2-4AE6-9902-069C52F19890Q86855672-6B1DFDA7-50D1-4BE4-8604-046C1A3D581EQ87404317-2DEB04B0-0693-49AB-9569-D433AF31D432
P50
description
Zweeds onderzoeker
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hulumtues
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researcher
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taighdeoir
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հետազոտող
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name
Jens Carlsson
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Jens Carlsson
@en
Jens Carlsson
@es
Jens Carlsson
@ga
Jens Carlsson
@nl
Jens Carlsson
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Jens Carlsson
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type
label
Jens Carlsson
@ast
Jens Carlsson
@en
Jens Carlsson
@es
Jens Carlsson
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Jens Carlsson
@nl
Jens Carlsson
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Jens Carlsson
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prefLabel
Jens Carlsson
@ast
Jens Carlsson
@en
Jens Carlsson
@es
Jens Carlsson
@ga
Jens Carlsson
@nl
Jens Carlsson
@sl
Jens Carlsson
@sq
P106
P21
P27
P31
P496
0000-0003-4623-2977