Marcus Wieder

Publication Activity (10 Years)

Years Active: 2017-2022
Publications (10 Years): 3

Top Topics

Graphical Models

Molecular Dynamics

Scoring Function

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

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. J. Comput. Chem. 43 (17) (2022)
David C. B. Siebert, Marcus Wieder, Lydia Schlener, Petra Scholze, Stefan Boresch, Thierry Langer, Michael Schnürch, Marko D. Mihovilovic, Lars Richter, Margot Ernst, Gerhard F. Ecker
SAR-Guided Scoring Function and Mutational Validation Reveal the Binding Mode of CGS-8216 at the α1+/γ2- Benzodiazepine Site. J. Chem. Inf. Model. 58 (8) (2018)
Marcus Wieder, Arthur Garon, Ugo Perricone, Stefan Boresch, Thomas Seidel, Anna Maria Almerico, Thierry Langer
Common Hits Approach: Combining Pharmacophore Modeling and Molecular Dynamics Simulations. J. Chem. Inf. Model. 57 (2) (2017)