A. Marion

发表

Ca2+ binding induced sequential allosteric activation of sortase A: An example for ion-triggered conformational selection

M. Glaser, I. Ugur, I. Antes, 2018, PloS one.

DynaDom: structure-based prediction of T cell receptor inter-domain and T cell receptor-peptide-MHC (class I) association angles

Iris Antes, Antoine Marion, I. Antes, 2017, BMC Structural Biology.

Why does Asn71 deamidate faster than Asn15 in the enzyme triosephosphate isomerase? Answers from microsecond molecular dynamics simulation and QM/MM free energy calculations.

Viktorya Aviyente, Gerald Monard, Antoine Marion, 2015, Biochemistry.

Activity-Based Photosensitizers with Optimized Triplet State Characteristics Toward Cancer Cell Selective and Image Guided Photodynamic Therapy

G. Gunbas, A. Marion, Safacan Kolemen, 2022, ACS applied bio materials.

Sodium alginate-grafted submicrometer particles display enhanced reversible aggregation/disaggregation properties.

J. Tavares, L. Fradette, N. Virgilio, 2018, Carbohydrate polymers.

Molecular Modelling Reveals Eight Novel Druggable Binding Sites in SARS-CoV-2’s Spike Protein

A. Marion, Ilke Ugur Marion, 2020 .

Peptidotriazolamers Inhibit Aβ(1-42) Oligomerization and Cross a Blood-Brain-Barrier Model.

P. Laakkonen, N. Sewald, A. Marion, 2021, ChemPlusChem.

Actin stabilizing compounds show specific biological effects due to their binding mode

S. Zahler, A. Vollmar, W. Enard, 2019, Scientific Reports.

Predicting the bioactive conformations of macrocycles: a molecular dynamics-based docking procedure with DynaDock

M. Glaser, I. Ugur, I. Antes, 2019, Journal of Molecular Modeling.

Gas-Phase Surface Engineering of Polystyrene Beads Used to Challenge Automated Particle Inspection Systems

J. Tavares, N. Virgilio, A. Marion, 2016 .

Predictive modelling of the corrosion rate of carbon steel focusing on the effect of the precipitation of corrosion products

Maalek Mohamed-Said, B. Vuillemin, R. Oltra, 2017 .

1,5-Disubstituted 1,2,3-Triazole-Containing Peptidotriazolamers: Design Principles for a Class of Versatile Peptidomimetics.

I. Antes, N. Sewald, A. Marion, 2018, Chemistry.

Mn(III) acetate induced addition of α-amidomalonic ester derivatives to conjugated olefins

A. Citterio, A. Marion, M. Nicolini, 1993 .

1,4-Disubstituted 1H-1,2,3-Triazole Containing Peptidotriazolamers: A New Class of Peptidomimetics With Interesting Foldamer Properties

I. Antes, N. Sewald, A. Marion, 2019, Front. Chem..

Simple Tyrosine Derivatives Act as Low Molecular Weight Organogelators

A. Marion, S. Özçubukçu, Güzide Aykent, 2019, Scientific Reports.

Simple Tyrosine Derivatives Act as Low Molecular Weight Organogelators

A. Marion, S. Özçubukçu, Güzide Aykent, 2019, Scientific Reports.

Cyclization of RGD peptides by Suzuki-Miyaura cross-coupling.

N. Sewald, A. Marion, C. Schnepel, 2019, Journal of medicinal chemistry.

Peptide stapling by late-stage Suzuki–Miyaura cross-coupling

K. Müller, N. Sewald, A. Marion, 2022, Beilstein journal of organic chemistry.

Actin stabilizing compounds show specific biological effects due to their binding mode

S. Zahler, A. Vollmar, W. Enard, 2019, Scientific Reports.

Synthesis of substituted tetrahydronaphthalenes by manganese(III), cerium(IV), and iron(III) oxidation of substituted diethyl .alpha.-benzylmalonates in the presence of olefins

A. Citterio, A. Marion, R. Sebastiano, 1991 .

Amber-Compatible Parametrization Procedure for Peptide-like Compounds: Application to 1, 4- and 1, 5-Substituted Triazole-Based Peptidomimetics

Iris Antes, Antoine Marion, Norbert Sewald, 2017, J. Chem. Inf. Model..

Extended interaction networks with HCV protease NS3-4A substrates explain the lack of adaptive capability against protease inhibitors

R. Tampé, C. Grimm, R. Biondi, 2020, The Journal of Biological Chemistry.

The low spin - high spin equilibrium in the S2-state of the water oxidizing enzyme.

Ville R. I. Kaila, A. Rutherford, M. Sugiura, 2018, Biochimica et biophysica acta. Bioenergetics.

STRESS CORROSION CRACKING OF STAINLESS STEELS TESTED BY DYNAMIC LOADING IN OXIDIZING AND REDUCING PWR PRIMARY ENVIRONMENT

O. Calonne, A. Marion, R. Kilian, 2015 .

Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.

M. Groll, A. Brakhage, M. Glaser, 2017, ACS chemical biology.

Rationalization of the pKa Values of Alcohols and Thiols Using Atomic Charge Descriptors and Its Application to the Prediction of Amino Acid pKa's

Jan H. Jensen, Gerald Monard, Ilke Ugur, 2014, J. Chem. Inf. Model..

Tetraphenyl-1,4-dioxin and Tetraphenyl-pyrane-4-one: Old Molecules, New Insights

A. Marion, Y. Zorlu, S. Özçubukçu, 2023, ACS Omega.

Fullerene-Based Mimics of Biocatalysts Show Remarkable Activity and Modularity.

A. Marion, S. Özçubukçu, A. Saylam, 2021, ACS applied materials & interfaces.

Water interactions with hydrophobic groups: assessment and recalibration of semiempirical molecular orbital methods.

Antoine Marion, Francesca Ingrosso, G. Monard, 2014, The Journal of chemical physics.

Activity of Topotecan toward the DNA/Topoisomerase I Complex: A Theoretical Rationalization.

V. Aviyente, S. Catak, I. Ugur, 2018, Biochemistry.

Tuning the Biological Activity of RGD Peptides with Halotryptophans†.

K. Müller, N. Sewald, A. Marion, 2020, Journal of medicinal chemistry.

Semi-Empirical Born-Oppenheimer Molecular Dynamics (SEBOMD) within the Amber Biomolecular Package

G. Monard, A. Marion, Hatice Gokcan, 2018, J. Chem. Inf. Model..

Synthesis of Naphtho[2,3-b]indolizine-6,11-dione Derivatives by Iodine Oxidation of 2-Alkyl-1,4-naphthoquinones in the Presence of Substituted Pyridines

A. Mele, A. Citterio, A. Marion, 1998 .

Amber-Compatible Parametrization Procedure for Peptide-like Compounds: Application to 1, 4- and 1, 5-Substituted Triazole-Based Peptidomimetics

I. Antes, N. Sewald, A. Marion, 2017, J. Chem. Inf. Model..