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Pascal T Merz

Showing results (1-10 of 6) with videos related to

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Plos One|September 7, 2018
Testing for physical validity in molecular simulationsPascal T Merz, Michael R Shirts
Journal of Chemical Theory and Computation|February 28, 2023
Alchemical Metadynamics: Adding Alchemical Variables to Metadynamics to Enhance Sampling in Free Energy CalculationsWei-Tse Hsu, Valerio Piomponi, Pascal T Merz, et al.
Journal of Chemical Theory and Computation|December 9, 2024
Leveraging a Separation of States Method for Relative Binding Free Energy Calculations in Systems with Trapped WatersSwapnil Wagle, Pascal T Merz, Yunhui Ge, et al.
Journal of Open Source Software|November 7, 2022
physical_validation: A Python package to assess the physical validity of molecular simulation resultsPascal T Merz, Wei-Tse Hsu, Matt W Thompson, et al.
Journal of Chemical Theory and Computation|June 2, 2016
A GROMOS-Compatible Force Field for Small Organic Molecules in the Condensed Phase: The 2016H66 Parameter SetBruno A C Horta, Pascal T Merz, Patrick F J Fuchs, et al.
Journal of Open Source Software|August 18, 2025
alchemlyb: the simple alchemistry libraryZhiyi Wu, David L Dotson, Irfan Alibay, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
Plos One|September 7, 2018
Testing for physical validity in molecular simulationsPascal T Merz, Michael R Shirts
Journal of Chemical Theory and Computation|February 28, 2023
Alchemical Metadynamics: Adding Alchemical Variables to Metadynamics to Enhance Sampling in Free Energy CalculationsWei-Tse Hsu, Valerio Piomponi, Pascal T Merz, et al.
Journal of Chemical Theory and Computation|December 9, 2024
Leveraging a Separation of States Method for Relative Binding Free Energy Calculations in Systems with Trapped WatersSwapnil Wagle, Pascal T Merz, Yunhui Ge, et al.
Journal of Open Source Software|November 7, 2022
physical_validation: A Python package to assess the physical validity of molecular simulation resultsPascal T Merz, Wei-Tse Hsu, Matt W Thompson, et al.
Journal of Chemical Theory and Computation|June 2, 2016
A GROMOS-Compatible Force Field for Small Organic Molecules in the Condensed Phase: The 2016H66 Parameter SetBruno A C Horta, Pascal T Merz, Patrick F J Fuchs, et al.
Journal of Open Source Software|August 18, 2025
alchemlyb: the simple alchemistry libraryZhiyi Wu, David L Dotson, Irfan Alibay, et al.
Pageof 1