Alexander Hoffmann

发表

Performance Evaluation of the Metadata-Driven MASi Research Data Management Repository Service

Richard Grunzke, Wolfgang E. Nagel, Volker Hartmann, 2018, 2018 26th Euromicro International Conference on Parallel, Distributed and Network-based Processing (PDP).

Challenges and Modifications for Creating a MoSGrid Science Gateway for US and European Infrastructures

Richard Grunzke, Sandra Gesing, Alexander Hoffmann, 2015, 2015 7th International Workshop on Science Gateways.

The Cu2O2 torture track for a real‐life system: [Cu2(btmgp)2O2]2+ oxo and peroxo species in density functional calculations†

Alexander Hoffmann, Sonja Herres-Pawlis, Martin Rohrmüller, 2015, J. Comput. Chem..

Towards a Metadata-driven Multi-Community Research Data Management Service

Richard Grunzke, Wolfgang E. Nagel, Volker Hartmann, 2016, IWSG.

Building a Framework for Actions and Roles in Organizational Knowledge Transfer

Alexander Hoffmann, Alexander Hoffmann, 2008, Knowledge Management In Action.

ESTRACK Management System Support for the CCSDS Space Communication Cross Support Service Management

Alexander Hoffmann, Martin Unal, 2012 .

MOESM1 of Multi-level meta-workflows: new concept for regularly occurring tasks in quantum chemistry

Richard Grunzke, Sandra Gesing, Tamas Kiss, 2016 .

Classification of Communication Defects in DWH Projects

Alexander Hoffmann, Wolf Behrmann, 2008, AMCIS.

The MASi repository service - Comprehensive, metadata-driven and multi-community research data management

Richard Grunzke, Wolfgang E. Nagel, Volker Hartmann, 2019, Future Gener. Comput. Syst..

Meta-Metaworkflows for Combining Quantum Chemistry and Molecular Dynamics in the MoSGrid Science Gateway

Gábor Terstyánszky, Richard Grunzke, Sandra Gesing, 2014, 2014 6th International Workshop on Science Gateways.

Using Science Gateways for Bridging the Differences between Research Infrastructures

Richard Grunzke, Sandra Gesing, Jens Krüger, 2016, Journal of Grid Computing.

Characterizing the Relationship between Steady State and Response Using Analytical Expressions for the Steady States of Mass Action Models

Alexander Hoffmann, Glenn Tesler, Paul Michael Loriaux, 2013, PLoS Comput. Biol..

Expansion of Quantum Chemical Metadata for Workflows in the MoSGrid Science Gateway

Richard Grunzke, Jens Krüger, Alexander Hoffmann, 2014, 2014 6th International Workshop on Science Gateways.

A Protein Turnover Signaling Motif Controls the Stimulus-Sensitivity of Stress Response Pathways

Alexander Hoffmann, Paul Michael Loriaux, A. Hoffmann, 2013, PLoS Comput. Biol..

Multi-level meta-workflows: new concept for regularly occurring tasks in quantum chemistry

Richard Grunzke, Sandra Gesing, Tamas Kiss, 2016, Journal of Cheminformatics.

Web Interface and Collaboration Platform for the ESTRACK Management System

Alexander Hoffmann, Holger Becker, Holger Dreihahn, 2014 .

Metadata Management in the MoSGrid Science Gateway - Evaluation and the Expansion of Quantum Chemistry Support

Richard Grunzke, Wolfgang E. Nagel, Jens Krüger, 2017, Journal of Grid Computing.

Orbital analysis of Oxo and Peroxo Dicopper Complexes via Quantum Chemical Workflows in MoSGrid

Richard Grunzke, Alexander Hoffmann, Sonja Herres-Pawlis, 2013, IWSG.

Science gateways - leveraging modeling and simulations in HPC infrastructures via increased usability

Richard Grunzke, Sandra Gesing, Marlon E. Pierce, 2015, 2015 International Conference on High Performance Computing & Simulation (HPCS).

TypeRight: a keyboard with tactile error prevention

Jan O. Borchers, Daniel Spelmezan, Alexander Hoffmann, 2009, CHI.

Multi-layer Meta-metaworkflows for the Evaluation of Solvent and Dispersion Effects in Transition Metal Systems Using the MoSGrid Science Gateways

Richard Grunzke, Sandra Gesing, Alexander Hoffmann, 2015, 2015 7th International Workshop on Science Gateways.

Gathering requirements for advancing simulations in HPC infrastructures via science gateways

Richard Grunzke, Sandra Gesing, Marlon E. Pierce, 2017, Future Gener. Comput. Syst..

Dual Delayed Feedback Provides Sensitivity and Robustness to the NF-κB Signaling Module

Jeff Hasty, Alexander Hoffmann, Lev S. Tsimring, 2013, PLoS Comput. Biol..

Molecular Simulation Grid (MosGrid): A Science Gateway Tailored to the Molecular Simulation Community

Richard Grunzke, Sandra Gesing, Jens Krüger, 2014, Science Gateways for Distributed Computing Infrastructures.

User-Friendly Workflows in Quantum Chemistry

Richard Grunzke, Sandra Gesing, Péter Kacsuk, 2013, IWSG.

Managing Complexity in Distributed Data Life Cycles Enhancing Scientific Discovery

Richard Grunzke, Sandra Gesing, Wolfgang E. Nagel, 2015, 2015 IEEE 11th International Conference on e-Science.

Insights into the influence of dispersion correction in the theoretical treatment of guanidine‐quinoline copper(I) complexes

Richard Grunzke, Alexander Hoffmann, Sonja Herres-Pawlis, 2014, J. Comput. Chem..

Corrigendum: Geometrical and optical benchmarking of copper(II) guanidine–quinoline complexes: Insights from TD‐DFT and many‐body perturbation theory (Part II)

Alexander Hoffmann, Sonja Herres-Pawlis, Ines dos Santos Vieira, 2015, J. Comput. Chem..

User-friendly metaworkflows in quantum chemistry

Richard Grunzke, Sandra Gesing, Jens Krüger, 2013, 2013 IEEE International Conference on Cluster Computing (CLUSTER).

Geometrical and optical benchmarking of copper(II) guanidine–quinoline complexes: Insights from TD‐DFT and many‐body perturbation theory (part II)

Alexander Hoffmann, Sonja Herres-Pawlis, Ines dos Santos Vieira, 2014, J. Comput. Chem..

Insights into Different Donor Abilities in Bis(pyrazolyl)pyridinylmethane Transition Metal Complexes

Alexander Hoffmann, Sonja Herres-Pawlis, Ulrich Flörke, 2014 .

Renaissance of the entatic state principle

Julia Stanek, Alexander Hoffmann, Sonja Herres-Pawlis, 2018, Coordination Chemistry Reviews.

Catching an entatic state--a pair of copper complexes.

Alexander Hoffmann, Sonja Herres-Pawlis, Ulrich Flörke, 2014, Angewandte Chemie.

Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic State.

Alexander Hoffmann, Sonja Herres-Pawlis, Martin Rohrmüller, 2016, Inorganic chemistry.

Copper Guanidinoquinoline Complexes as Entatic State Models of Electron-Transfer Proteins.

Richard Grunzke, Julia Stanek, Alexander Hoffmann, 2017, Chemistry.

Influence of Functionalized Substituents on the Electron-Transfer Abilities of Copper Guanidinoquinoline Complexes

Julia Stanek, Alexander Hoffmann, Sonja Herres-Pawlis, 2018, European Journal of Inorganic Chemistry.

Catalytic phenol hydroxylation with dioxygen: extension of the tyrosinase mechanism beyond the protein matrix.

Alexander Hoffmann, Sonja Herres-Pawlis, Arne Goos, 2013, Angewandte Chemie.

Hiking on the potential energy surface of a functional tyrosinase model--implications of singlet, broken-symmetry and triplet description.

Alexander Hoffmann, Sonja Herres-Pawlis, S. Herres‐Pawlis, 2014, Chemical communications.

Implications of Guanidine Substitution on Copper Complexes as Entatic‐State Models

Julia Stanek, Alexander Hoffmann, Sonja Herres-Pawlis, 2016 .

Synthesis and properties of guanidine-pyridine hybridligands and structural characterisation of their mono- and bis(chelated) cobalt complexes

Alexander Hoffmann, Sonja Herres-Pawlis, Janna Börner, 2009 .

(Guanidine)copper complexes: structural variety and application in bioinorganic chemistry and catalysis

Alexander Hoffmann, Sonja Herres-Pawlis, S. Herres‐Pawlis, 2011 .