R Gregor Weiß

Publication Activity (10 Years)

Years Active: 2017-2022
Publications (10 Years): 7

Top Topics

Saccharomyces Cerevisiae

Endoplasmic Reticulum

Men Who Have Sex With Men

Top Venues

The Journal of chemical physics

RSC chemical biology

The journal of physical chemistry. B

Journal of computer-aided molecular design

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

Publications

Benjamin Ries, Karl Normak, R Gregor Weiß, Salomé R Rieder, Emilia P Barros, Candide Champion, Gerhard König, Sereina Riniker
Relative free-energy calculations for scaffold hopping-type transformations with an automated RE-EDS sampling procedure. Journal of computer-aided molecular design 36 (2) (2022)
Stephanie M Linker, R Gregor Weiß, Sereina Riniker
Connecting dynamic reweighting Algorithms: Derivation of the dynamic reweighting family tree. The Journal of chemical physics 153 (23) (2021)
R Gregor Weiß, Benjamin Ries, Shuzhe Wang, Sereina Riniker
Volume-scaled common nearest neighbor clustering algorithm with free-energy hierarchy. The Journal of chemical physics 154 (8) (2021)
Corina Mathew, R Gregor Weiß, Christoph Giese, Chia-Wei Lin, Marie-Estelle Losfeld, Rudi Glockshuber, Sereina Riniker, Markus Aebi
Glycan-protein interactions determine kinetics of N-glycan remodeling. RSC chemical biology 2 (3) (2021)
R Gregor Weiß, Marie-Estelle Losfeld, Markus Aebi, Sereina Riniker
N-Glycosylation Enhances Conformational Flexibility of Protein Disulfide Isomerase Revealed by Microsecond Molecular Dynamics and Markov State Modeling. The journal of physical chemistry. B 125 (33) (2021)
R Gregor Weiß, Richard Chudoba, Piotr Setny, Joachim Dzubiella
Affinity, kinetics, and pathways of anisotropic ligands binding to hydrophobic model pockets. The Journal of chemical physics 149 (9) (2018)
R Gregor Weiß, Piotr Setny, Joachim Dzubiella
Principles for Tuning Hydrophobic Ligand-Receptor Binding Kinetics. Journal of chemical theory and computation 13 (6) (2017)