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T. Jaffrelot Inizan
T. Jaffrelot Inizan
Molecular dynamics
Force field (chemistry)
Gaussian
Adaptive sampling
Sampling (statistics)
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An Efficient GaMD Multi-Level Enhanced Sampling Strategy for Polarizable Force Fields Simulations of Large Biological Systems
2021
ChemRxiv
Fréderic Célerse
T. Jaffrelot Inizan
Louis Lagardère
Olivier Adjoua
Pierre Monmarché
Y. Miao
Etienne Derat
Jean-Philip Piquemal
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