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Théo Jaffrelot Inizan
Théo Jaffrelot Inizan
University of Paris
Complex system
Scalability
Software
CUDA
Supercomputer
2
Papers
9
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0
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Interfacial Water Many-Body Effects Drive Structural Dynamics and Allosteric Interactions in SARS-CoV-2 Main Protease Dimerization Interface.
2021
Journal of Physical Chemistry Letters
Dina El Ahdab
Louis Lagardère
Théo Jaffrelot Inizan
Fréderic Célerse
Chengwen Liu
Olivier Adjoua
Luc-Henri Jolly
Nohad Gresh
Zeina Hobaika
Pengyu Ren
Richard G. Maroun
Jean-Philip Piquemal
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Tinker-HP : Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields using GPUs and Multi-GPUs systems.
2021
Journal of Chemical Theory and Computation
Olivier Adjoua
Louis Lagardère
Luc-Henri Jolly
Arnaud Durocher
Thibaut Very
Isabelle Dupays
Zhi Wang
Théo Jaffrelot Inizan
Fréderic Célerse
Pengyu Ren
Jay W. Ponder
Jean-Philip Piquemal
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Citations (9)
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