Markus Fleck

Publication Activity (10 Years)

Years Active: 2019-2022
Publications (10 Years): 3

Top Topics

Molecular Dynamics Simulations

Molecularly Imprinted

Anaerobic Digestion

Top Venues

Journal of chemical theory and computation

Journal of computational chemistry

Universität Wien

Universität Wien / Max F. Perutz Laboratories (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Universität Wien Jul 05 2018

Austria

PostDoc :: Department of Computational Biological Chemistry

Universität Wien Sep 01 2014 - Oct 31 2016

Austria

PhD candidate :: Max F. Perutz Laboratories

Max F. Perutz Laboratories Oct 01 2012 - Aug 31 2014

Austria

PhD candidate

Education History

Universität Wien / Max F. Perutz Laboratories Oct 01 2012 - Apr 18 2018

Austria

PHD

Publications

Marcus Wieder, Markus Fleck, Benedict Braunsfeld, Stefan Boresch
Alchemical free energy simulations without speed limits. A generic framework to calculate free energy differences independent of the underlying molecular dynamics program. Journal of computational chemistry 43 (17) (2022)
Markus Fleck, Marcus Wieder, Stefan Boresch
Dummy Atoms in Alchemical Free Energy Calculations. Journal of chemical theory and computation 17 (7) (2021)
Markus Fleck, Bojan Žagrović
Configurational Entropy Components and Their Contribution to Biomolecular Complex Formation. Journal of chemical theory and computation 15 (6) (2019)