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CORDIS

ABIOtic Synthesis of RNA: an investigation on how life started before biology existed

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Simulation-Guided Conformational Space Exploration to Assess Reactive Conformations of a Ribozyme (opens in new window)

Author(s): Sélène Forget, Marie Juillé, Élise Duboué-Dijon, Guillaume Stirnemann
Published in: Journal of Chemical Theory and Computation, 2024, ISSN 1549-9618
Publisher: American Chemical Society
DOI: 10.26434/chemrxiv-2024-cmtnf

ArcaNN: automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials (opens in new window)

Author(s): Rolf David, Miguel de la Puente, Axel Gomez, Olaia Anton, Guillaume Stirnemann, Damien Laage
Published in: Digital Discovery, Issue 4, 2025, Page(s) 54-72, ISSN 2635-098X
Publisher: RSC
DOI: 10.1039/d4dd00209a

Mass effects for thermodiffusion in dilute aqueous solutions (opens in new window)

Author(s): Alejandro Diaz-Marquez; Guillaume Stirnemann
Published in: The European Physical Journal E, Issue 45, 2022, Page(s) 37, ISSN 1292-8941
Publisher: Springer Verlag
DOI: 10.1140/epje/s10189-022-00193-3

Toward a Molecular Mechanism of Complementary RNA Duplexes Denaturation (opens in new window)

Author(s): Aimeric Dabin, Guillaume Stirnemann
Published in: The Journal of Physical Chemistry B, Issue 127, 2023, Page(s) 6015-6028, ISSN 1520-6106
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcb.3c00908

Atomistic simulations of RNA duplex thermal denaturation: Sequence- and forcefield-dependence (opens in new window)

Author(s): Aimeric Dabin, Guillaume Stirnemann
Published in: Biophysical Chemistry, Issue 307, 2024, Page(s) 107167, ISSN 0301-4622
Publisher: Elsevier BV
DOI: 10.1016/j.bpc.2023.107167

Molecular mechanisms of phosphoester bond formation in abiotic conditions with reactive neural network potentials (opens in new window)

Author(s): Zakarya Benayad, Rolf David, Guillaume Stirnemann
Published in: PNAS, 2023, ISSN 0027-8424
Publisher: National Academy of Sciences
DOI: 10.26434/chemrxiv-2023-8c1mt

In silico all-atom approach to thermodiffusionin dilute aqueous solutions (opens in new window)

Author(s): Alejandro Diaz-Marquez; Guillaume Stirnemann
Published in: The Journal of Chemical Physics, Issue 155, 2021, Page(s) 174503, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0067756

Computer-aided comprehensive explorations of RNA structural polymorphism through complementary simulation methods (opens in new window)

Author(s): Konstantin Röder, Guillaume Stirnemann, Pietro Faccioli, Samuela Pasquali
Published in: QRB Discovery, Issue 3, 2022, ISSN 2633-2892
Publisher: QRB
DOI: 10.1017/qrd.2022.19

Effect of Ions on Water Dynamics in Dilute and Concentrated Aqueous Salt Solutions (opens in new window)

Author(s): Damien Laage, Guillaume Stirnemann
Published in: The Journal of Physical Chemistry B, Issue 123/15, 2019, Page(s) 3312-3324, ISSN 1520-6106
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcb.9b01053

Molecular Mechanisms of Phosphoester Bond Formation in Water Using Tight-Binding Ab Initio Molecular Dynamics (opens in new window)

Author(s): Zakarya Benayad, Matthias Bova Saint-André, Guillaume Stirnemann
Published in: The Journal of Physical Chemistry B, Issue 126, 2023, Page(s) 8251-8265, ISSN 1520-6106
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcb.2c04259

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