Publications by authors named "Astrid MaaSS"

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Llamol: a dynamic multi-conditional generative transformer for de novo molecular design.
Niklas Dobberstein, Astrid Maass, Jan Hamaekers

J Cheminform· June 2024

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Insights into the Folding of Disulfide-Rich μ-Conotoxins.
Ajay Abisheck Paul George, Pascal Heimer, Astrid Maaß, Jan Hamaekers, Martin Hofmann-Apitius

ACS Omega· October 2018

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The octet rule in chemical space: generating virtual molecules.
Rafel Israels, Astrid Maaß, Jan Hamaekers

Mol Divers· November 2017

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On the nature of interactions between ionic liquids and small amino-acid-based biomolecules.
Alesia A Tietze, Frank Bordusa, Ralf Giernoth, Diana Imhof, Thomas Lenzer, Astrid Maass

Chemphyschem· December 2013

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Ligand-specific binding and activation of the human adenosine A(2B) receptor.
Dominik Thimm, Anke C Schiedel, Farag F Sherbiny, Sonja Hinz, Katharina Hochheiser, Astrid Maass

Biochemistry· January 2013

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A Glycam-Based Force Field for Simulations of Lipopolysaccharide Membranes: Parametrization and Validation.
Karl N Kirschner, Roberto D Lins, Astrid Maass, Thereza A Soares

J Chem Theory Comput· November 2012

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The four cysteine residues in the second extracellular loop of the human adenosine A2B receptor: role in ligand binding and receptor function.
Anke C Schiedel, Sonja Hinz, Dominik Thimm, Farag Sherbiny, Thomas Borrmann, Astrid Maass

Biochem Pharmacol· August 2011

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Folding and unfolding characteristics of short beta strand peptides under different environmental conditions and starting configurations.
Astrid Maass, Emine Deniz Tekin, Anton Schüller, Ahmet Palazoglu, Dirk Reith

Biochim Biophys Acta· October 2010

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Homology modelling of the human adenosine A2B receptor based on X-ray structures of bovine rhodopsin, the beta2-adrenergic receptor and the human adenosine A2A receptor.
Farag F Sherbiny, Anke C Schiedel, Astrid Maass, Christa E Müller

J Comput Aided Mol Des· November 2009

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WISDOM-II: screening against multiple targets implicated in malaria using computational grid infrastructures.
Vinod Kasam, Jean Salzemann, Marli Botha, Ana Dacosta, Gianluca Degliesposti, Astrid Maass

Malar J· May 2009

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Endogenous tetrahydroisoquinolines associated with Parkinson's disease mimic the feedback inhibition of tyrosine hydroxylase by catecholamines.
Joachim Scholz, Karen Toska, Alexander Luborzewski, Astrid Maass, Volker Schünemann

FEBS J· May 2008

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Design of new plasmepsin inhibitors: a virtual high throughput screening approach on the EGEE grid.
Vinod Kasam, Marc Zimmermann, Astrid Maass, Horst Schwichtenberg, Antje Wolf

J Chem Inf Model· November 2007

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Grid enabled high throughput virtual screening against four different targets implicated in malaria.
Jean Salzemann, Vinod Kasam, Nicolas Jacq, Astrid Maass, Horst Schwichtenberg

Stud Health Technol Inform· September 2007

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Demonstration of in silico docking at a large scale on grid infrastructure.
Nicolas Jacq, Jean Salzemann, Yannick Legre, Matthieu Reichstadt, Florence Jacq, Astrid Maass

Stud Health Technol Inform· November 2006

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Adenosine receptor agonists: from basic medicinal chemistry to clinical development.
Luo Yan, Joachim C Burbiel, Astrid Maass, Christa E Müller

Expert Opin Emerg Drugs· November 2003

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Modeled ligand-protein complexes elucidate the origin of substrate specificity and provide insight into catalytic mechanisms of phenylalanine hydroxylase and tyrosine hydroxylase.
Astrid Maass, Joachim Scholz, Andreas Moser

Eur J Biochem· March 2003

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