2 papers
q-bio.BM2020
Best Practices for Alchemical Free Energy Calculations
Antonia S. J. S. Mey, Bryce Allen, Hannah E. Bruce Macdonald +11
Alchemical free energy calculations are a useful tool for predicting free energy differences associated with the transfer of molecules from one environment to another. The hallmark…
q-bio.BM2018
Geometric constraints in protein folding
Nora Molkenthin, Steffen Mühle, Antonia S J S Mey +1
The intricate three-dimensional geometries of protein tertiary structures underlie protein function and emerge through a folding process from one-dimensional chains of amino acids.…