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BMC Structural Biology|February 3, 2017
DynaDom: structure-based prediction of T cell receptor inter-domain and T cell receptor-peptide-MHC (class I) association anglesThomas Hoffmann, Antoine Marion, Iris AntesJournal of Chemical Information and Modeling|November 16, 2018
Semi-Empirical Born-Oppenheimer Molecular Dynamics (SEBOMD) within the Amber Biomolecular PackageAntoine Marion, Hatice Gokcan, Gerald MonardPhysical Chemistry Chemical Physics : PCCP|January 14, 2022
The Q41R mutation in the HCV-protease enhances the reactivity towards MAVS by suppressing non-reactive pathwaysChen Zheng, Markus Schneider, Antoine Marion, et al.Scientific Reports|March 22, 2019
Simple Tyrosine Derivatives Act as Low Molecular Weight OrganogelatorsGüzide Aykent, Cansu Zeytun, Antoine Marion, et al.Biochemistry|January 21, 2015
Why does Asn71 deamidate faster than Asn15 in the enzyme triosephosphate isomerase? Answers from microsecond molecular dynamics simulation and QM/MM free energy calculationsIlke Ugur, Antoine Marion, Viktorya Aviyente, et al.ACS Applied Materials & Interfaces|September 14, 2021
Fullerene-Based Mimics of Biocatalysts Show Remarkable Activity and ModularityGülcihan Gülseren, Aytül Saylam, Antoine Marion, et al.Scientific Reports|May 5, 2019
Publisher Correction: Simple Tyrosine Derivatives Act as Low Molecular Weight OrganogelatorsGüzide Aykent, Cansu Zeytun, Antoine Marion, et al.Journal of Molecular Modeling|June 22, 2019
Predicting the bioactive conformations of macrocycles: a molecular dynamics-based docking procedure with DynaDockIlke Ugur, Maja Schroft, Antoine Marion, et al.The Journal of Chemical Physics|July 24, 2014
Water interactions with hydrophobic groups: assessment and recalibration of semiempirical molecular orbital methodsAntoine Marion, Gérald Monard, Manuel F Ruiz-López, et al.ACS Omega|June 12, 2023
Tetraphenyl-1,4-dioxin and Tetraphenyl-pyrane-4-one: Old Molecules, New InsightsMedine Soydan, Burcu Okyar, Yunus Zorlu, et al.Pageof 3