Concepedia

Pascal T. Merz

PT

4

Publications

249

Citations

4

H-Index

2016

Active since

Affiliations

University of Colorado Boulder(Current)

Université Paris Cité

Centre National de la Recherche Scientifique

Pascal T. Merz is an author at University of Colorado Boulder specializing in computational chemistry, molecular design, and molecular dynamics.

Top concepts

BiophysicsEngineeringMolecular DesignMolecular DynamicsComputational ChemistryEnergyPhysicsMedicineChemistryProtein Folding

Publications per year

2016–2024

4

Publications

4

A GROMOS-Compatible Force Field for Small Organic Molecules in the Condensed Phase: The 2016H66 Parameter Set

Bruno A. C. Horta, Pascal T. Merz, Patrick Fuchs et al. · Journal of Chemical Theory and Computation · 2016 · 158 citations

Testing for physical validity in molecular simulations

Pascal T. Merz, Michael R. Shirts · PLoS ONE · 2018 · 42 citations · Full text

Engineering, Protein Folding, Medicine +15

Alchemical Metadynamics: Adding Alchemical Variables to Metadynamics to Enhance Sampling in Free Energy Calculations

Wei-Tse Hsu, Valerio Piomponi, Pascal T. Merz et al. · Journal of Chemical Theory and Computation · 2023 · 26 citations

Engineering, Chemical Analysis, Computational Chemistry +18

alchemlyb: the simple alchemistry library

Zhiyi Wu, David Dotson, Irfan Alibay et al. · The Journal of Open Source Software · 2024 · 23 citations · Full text

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