A. Maaß

发表

On the nature of interactions between ionic liquids and small amino-acid-based biomolecules.

A. Stark, T. Lenzer, D. Imhof, 2013, Chemphyschem : a European journal of chemical physics and physical chemistry.

Adenosine receptor agonists: from basic medicinal chemistry to clinical development

C. Müller, J. Burbiel, Luo Yan, 2003, Expert opinion on emerging drugs.

Ligand-specific binding and activation of the human adenosine A(2B) receptor.

Farag F. Sherbiny, A. Schiedel, C. Müller, 2013, Biochemistry.

Homology modelling of the human adenosine A2B receptor based on X-ray structures of bovine rhodopsin, the β2-adrenergic receptor and the human adenosine A2A receptor

Farag F. Sherbiny, Anke C. Schiedel, Astrid Maaß, 2009, J. Comput. Aided Mol. Des..

WISDOM-II: Screening against multiple targets implicated in malaria using computational grid infrastructures

Martin Hofmann-Apitius, Vincent Breton, Giulio Rastelli, 2009, Malaria Journal.

Virtual screening on large scale grids

Martin Hofmann-Apitius, Vincent Breton, Yannick Legré, 2007, Parallel Comput..

Grid-Enabled High Throughput Virtual Screening

Martin Hofmann-Apitius, Ivan Merelli, Marc Zimmermann, 2007, GCCB.

Large Scale In Silico Screening on Grid Infrastructures pdf

Martin Hofmann-Apitius, Ivan Merelli, Marc Zimmermann, 2006, ArXiv.

Endogenous tetrahydroisoquinolines associated with Parkinson’s disease mimic the feedback inhibition of tyrosine hydroxylase by catecholamines

J. Haavik, J. Scholz, A. Moser, 2008, The FEBS journal.

The four cysteine residues in the second extracellular loop of the human adenosine A2B receptor: role in ligand binding and receptor function.

Farag F. Sherbiny, A. Schiedel, C. Müller, 2011, Biochemical pharmacology.

Modeled ligand-protein complexes elucidate the origin of substrate specificity and provide insight into catalytic mechanisms of phenylalanine hydroxylase and tyrosine hydroxylase.

J. Scholz, A. Moser, A. Maaß, 2003, European journal of biochemistry.

Rapid Prescreening of Organic Compounds for Redox Flow Batteries: A Graph Convolutional Network for Predicting Reaction Enthalpies from SMILES

J. Hamaekers, James Barker, A. Maaß, 2021, Batteries & Supercaps.

Insights into the Folding of Disulfide-Rich μ-Conotoxins

M. Hofmann-Apitius, J. Hamaekers, A. Biswas, 2018, ACS omega.

A Glycam-Based Force Field for Simulations of Lipopolysaccharide Membranes: Parametrization and Validation.

R. Lins, T. Soares, K. Kirschner, 2012, Journal of chemical theory and computation.

Folding and unfolding characteristics of short beta strand peptides under different environmental conditions and starting configurations.

A. Palazoglu, R. Faller, D. Reith, 2010, Biochimica et biophysica acta.

Grid-enabled Virtual Screening Against Malaria

Johan Montagnat, Martin Hofmann-Apitius, Marc Zimmermann, 2006, Journal of Grid Computing.

Grid Enabled High Throughput Virtual Screening Against Four Different Targets Implicated in Malaria

Vincent Breton, Nicolas Jacq, Astrid Maaß, 2007, HealthGrid.

Design of New Plasmepsin Inhibitors: A Virtual High Throughput Screening Approach on the EGEE Grid

Martin Hofmann-Apitius, Marc Zimmermann, Vincent Breton, 2007, J. Chem. Inf. Model..

WISDOM-II: Screening against multiple targets implicated in malaria using computational grid infrastructures

M. Hofmann-Apitius, J. Salzemann, V. Breton, 2009, Malaria Journal.

Assessment of numerical optimization algorithms for the development of molecular models

Dirk Reith, Jadran Vrabec, Astrid Maaß, 2010, Comput. Phys. Commun..