Theo Jaffrelot Inizan - Dissemin

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All papers authored by Theo Jaffrelot Inizan

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2022 Léa El Khoury

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, Alberto Cuzzolin, Alessandro Deplano, Daniele Loco, Boris Sattarov, Florent Hédin

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, Sebastian Wendeborn, Chris Ho, Dina El Ahdab

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, Theo Jaffrelot Inizan

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, Mattia Sturlese, Alice Sosic, Martina Volpiana, Angela Lugato and 20 other authors

Computationally driven discovery of SARS-CoV-2 M^proinhibitors: from design to experimental validation

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This paper is made freely available by the publisher.

2021 Théo Jaffrelot Inizan

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, Frédéric Célerse

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, Olivier Adjoua, Dina El Ahdab

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, Luc-Henri Jolly, Chengwen Liu, Pengyu Ren, Matthieu Montes, Nathalie Lagarde, Louis Lagardère, Pierre Monmarché, Jean-Philip Piquemal

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High-resolution mining of the SARS-CoV-2 main protease conformational space: supercomputer-driven unsupervised adaptive sampling

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

2020 Theo Jaffrelot Inizan

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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

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

Theo Jaffrelot Inizan

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, Frédéric Célerse, Olivier Adjoua, Dina El Ahdab, Luc-Henry Jolly, Chengwen Liu, Pengyu Ren, Matthieu Montes, Nathalie Lagarde, Louis Lagardère, Pierre Monmarché, Jean-Philip Piquemal

High-Resolution Mining of SARS-CoV-2 Main Protease Conformational Space: Supercomputer-Driven Unsupervised Adaptive Sampling

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Roberta Totani, Christophe Méthivier, Dominique Costa, Théo Jaffrelot Inizan

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, Claire-Marie Pradier, Vincent Humblot

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Binding and 2D organization of arginine on Cu(1 1 0)

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