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Authors whose works are in public domain in at least one jurisdiction

List of works by Richard Grunzke

A Single Sign-On Infrastructure for Science Gateways on a Use Case for Structural Bioinformatics

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

scientific article published in June 2015

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

scientific article published on 29 August 2017

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

scientific article published in June 2014

Gathering requirements for advancing simulations in HPC infrastructures via science gateways

scientific article published in May 2018

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

scientific article published on 14 August 2014

Managing Complexity in Distributed Data Life Cycles Enhancing Scientific Discovery

scientific article published in August 2015

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

scientific article published in June 2014

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

scientific article published on 21 March 2016

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

scientific article published in June 2015

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

scientific article (publication date: 2016)

Performance studies on distributed virtual screening

scientific article

Portals and Web-Based Resources for Virtual Screening

scientific article published on 31 January 2016

Quantum chemical meta-workflows in MoSGrid

scientific article published on 21 May 2014

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

Standards-based metadata management for molecular simulations

scientific article published on 4 September 2013

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

scientific article published in 2019

The MoSGrid Science Gateway - A Complete Solution for Molecular Simulations.

scientific article published on 19 May 2014

User-friendly metaworkflows in quantum chemistry

scientific article published in September 2013

Using Science Gateways for Bridging the Differences between Research Infrastructures

scientific article published on 18 November 2016

Workflow-enhanced conformational analysis of guanidine zinc complexes via a science gateway

scientific article published on 01 January 2012

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