Etienne Derat
0000-0002-8637-2707
9 papers found
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Unveiling the Full Dynamical and Reactivity Profiles of Acetylcholinesterase: A Comprehensive All-Atom Investigation
Correction to “Massively Parallel Implementation of Steered Molecular Dynamics in Tinker-HP: Comparisons of Polarizable and Nonpolarizable Simulations of Realistic Systems”
Hierarchical Self-Assembly of Polyoxometalate-Based Organo Palladium(II) Metallomacrocycles via Electrostatic Interactions
Massively Parallel Implementation of Steered Molecular Dynamics in Tinker-HP: Comparisons of Polarizable and Non-Polarizable Simulations of Realistic Systems
Photochromism and Dual-Color Fluorescence in a Polyoxometalate-Benzospiropyran Molecular Switch
Back Cover: On the Influence of the Protonation States of Active Site Residues on AChE Reactivation: A QM/MM Approach (ChemBioChem 7/2017)
Molecular Cobalt Complexes with Pendant Amines for Selective Electrocatalytic Reduction of Carbon Dioxide to Formic Acid
On the Influence of the Protonation States of Active Site Residues on AChE Reactivation: A QM/MM Approach
Gold(i)-catalyzed access to neomerane skeletons
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