Benjamin Ries|Benjamin Schroeder

Benjamin Ries|Benjamin Schroeder

Boehringer Ingelheim  - /
Natural Sciences / Chemical Sciences
AD Scientific Index ID: 5387196
person_outline Benjamin Ries|Benjamin Schroeder's MOST POPULAR ARTICLES
1-) Rationalization of the membrane permeability differences in a series of analogue cyclic decapeptidesJ Witek, S Wang, B Schroeder, R Lingwood, A Dounas, HJ Roth, ...Journal of chemical information and modeling 59 (1), 294-308, 2018622018
2-) An alternative to conventional λ-intermediate states in alchemical free energy calculations: λ-enveloping distribution samplingG Konig, N Glaser, B Schroeder, A Kubincova, PH Hunenberger, ...Journal of chemical information and modeling 60 (11), 5407-5423, 2020212020
3-) Efficient alchemical intermediate states in free energy calculations using λ-enveloping distribution samplingG König, B Ries, PH Hünenberger, S RinikerJournal of Chemical Theory and Computation 17 (9), 5805-5815, 2021152021
4-) Modulation of the passive permeability of semipeptidic macrocycles: N-and C-methylations fine-tune conformation and propertiesC Comeau, B Ries, T Stadelmann, J Tremblay, S Poulet, U Frohlich, ...Journal of Medicinal Chemistry 64 (9), 5365-5383, 2021152021
5-) Relative free-energy calculations for scaffold hopping-type transformations with an automated RE-EDS sampling procedureB Ries, K Normak, RG Weiß, S Rieder, EP Barros, C Champion, G König, ...Journal of Computer-Aided Molecular Design 36 (2), 117-130, 2022142022