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Maurice Karrenbrock

Showing results (1-10 of 4) with videos related to

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Journal of Chemical Information and Modeling|November 1, 2021
Virtual Double-System Single-Box for Absolute Dissociation Free Energy Calculations in GROMACSMarina Macchiagodena, Maurice Karrenbrock, Marco Pagliai, et al.
The Journal of Physical Chemistry. B|February 7, 2024
Addressing Suboptimal Poses in Nonequilibrium Alchemical CalculationsMaurice Karrenbrock, Valerio Rizzi, Piero Procacci, et al.
Journal of Chemical Theory and Computation|October 22, 2020
Virtual Double-System Single-Box: A Nonequilibrium Alchemical Technique for Absolute Binding Free Energy Calculations: Application to Ligands of the SARS-CoV-2 Main ProteaseMarina Macchiagodena, Marco Pagliai, Maurice Karrenbrock, et al.
The Journal of Physical Chemistry Letters|September 20, 2024
Absolute Binding Free Energies with OneOPESMaurice Karrenbrock, Alberto Borsatto, Valerio Rizzi, et al.
Pageof 1

Showing results (1-10 of 4) with videos related to

Sort By:
Pageof 1
Journal of Chemical Information and Modeling|November 1, 2021
Virtual Double-System Single-Box for Absolute Dissociation Free Energy Calculations in GROMACSMarina Macchiagodena, Maurice Karrenbrock, Marco Pagliai, et al.
The Journal of Physical Chemistry. B|February 7, 2024
Addressing Suboptimal Poses in Nonequilibrium Alchemical CalculationsMaurice Karrenbrock, Valerio Rizzi, Piero Procacci, et al.
Journal of Chemical Theory and Computation|October 22, 2020
Virtual Double-System Single-Box: A Nonequilibrium Alchemical Technique for Absolute Binding Free Energy Calculations: Application to Ligands of the SARS-CoV-2 Main ProteaseMarina Macchiagodena, Marco Pagliai, Maurice Karrenbrock, et al.
The Journal of Physical Chemistry Letters|September 20, 2024
Absolute Binding Free Energies with OneOPESMaurice Karrenbrock, Alberto Borsatto, Valerio Rizzi, et al.
Pageof 1