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	Pour les 83 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 3 Page suivante	triés par Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante

		Coarse-grained and All-atom Simulations towards the Early and Late Steps of Amyloid Fibril Formation M. Chiricotto , T. T. Tran , P. H. Nguyen , S. Melchionna , Fabio Sterpone , et al. Isr. J. Chem., 2017, DOI: 10.1002/ijch.201600048., ⟨10.1002/ijch.201600048⟩ Article dans une revue hal-01497997v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Stability Effect of Quinary Interactions Reversed by Single Point Mutations David Gnutt , Stepan Timr , Jonas Ahlers , Benedikt König , Emily Manderfeld , et al. Journal of the American Chemical Society, 2019, 141 (11), pp.4660-4669. ⟨10.1021/jacs.8b13025⟩ Article dans une revue hal-02360012v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		MOLECULAR MODELLING AND SIMULATION: FROM BIOLOGICAL SYSTEMS TO MATERIALS Fabio Sterpone Theoretical and/or physical chemistry. Université Denis Diderot 2012 HDR tel-01541650v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Multiscale simulation of molecular processes in cellular environments Mara Chiricotto , Fabio Sterpone , Philippe Derreumaux , Simone Melchionna Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2016, 374 (2080), ⟨10.1098/rsta.2016.0225⟩ Article dans une revue hal-01497978v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Hydrodynamic effects on beta-amyloid (16-22) peptide aggregation Mara Chiricotto , Simone Melchionna , Philippe Derreumaux , Fabio Sterpone Journal of Chemical Physics, 2016, 145 (3), ⟨10.1063/1.4958323⟩ Article dans une revue hal-01497984v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Binding site plasticity regulation of the FimH catch-bond mechanism Olivier Languin-Cattoën , Fabio Sterpone , Guillaume Stirnemann Biophysical Journal, 2023, 122 (13), pp.2744-2756. ⟨10.1016/j.bpj.2023.05.029⟩ Article dans une revue hal-04234999v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Explicit Models of Motion to Understand Protein Side-Chain Dynamics Nicolas Bolik-Coulon , Olivier Languin-Cattoën , Diego Carnevale , Milan Zachrdla , Damien Laage , et al. Physical Review Letters, 2022, 129 (20), pp.203001. ⟨10.1103/PhysRevLett.129.203001⟩ Article dans une revue hal-03861436v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		How protein Surfaces Induce nomalous Dynamics of Hydration Water Francesso Pizzitutti , Massimo Marchi , Fabio Sterpone , Peter Rossky Journal of Physical Chemistry B, 2007, pp.7584-7590 Article dans une revue hal-00264535v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		OPEP6: A New Constant-pH Molecular Dynamics Simulation Scheme with OPEP Coarse-Grained Force Field Fernando Luís Barroso da Silva , Fabio Sterpone , Philippe Derreumaux Journal of Chemical Theory and Computation, 2019, 15 (6), pp.3875-3888. ⟨10.1021/acs.jctc.9b00202⟩ Article dans une revue hal-02360037v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular dynamics simulations reveal statistics and microscopic mechanisms of water permeation in membrane-embedded artificial water channel nanoconstructs Arthur Hardiagon , Samuel Murail , Li-Bo Huang , Arie van Der Lee , Fabio Sterpone , et al. Journal of Chemical Physics, 2021, 154 (18), pp.184102. ⟨10.1063/5.0044360⟩ Article dans une revue hal-03410227v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Hydroxy Channels–Adaptive Pathways for Selective Water Cluster Permeation Li-Bo Huang , Arthur Hardiagon , Istvan Kocsis , Cristina-Alexandra Jegu , Mihai Deleanu , et al. Journal of the American Chemical Society, 2021, 143 (11), pp.4224-4233. ⟨10.1021/jacs.0c11952⟩ Article dans une revue hal-03364954v2	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Thermal activation of 'allosteric- like' large-scale motions in a eukaryotic Lactate Dehydrogenase Marina Katava , Marco Maccarini , Guillaume Villain , Alessandro Paciaroni , Michael Sztucki , et al. Scientific Reports, 2017, 7, pp.41092. ⟨10.1038/srep41092⟩ Article dans une revue hal-01473622v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems Fabio Sterpone , Simone Melchionna , Pierre Tuffery , Samuela Pasquali , Normand Mousseau , et al. Chemical Society Reviews, 2014, 43 (13), pp.4871-4893. ⟨10.1039/c4cs00048j⟩ Article dans une revue hal-04193590v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Structures of the Alzheimer\textquoterights Wild-Type A beta 1-40 Dimer from Atomistic Simulations Bogdan Tarus , Thanh T. Tran , Jessica Nasica-Labouze , Fabio Sterpone , Phuong H. Nguyen , et al. Journal of Physical Chemistry B, 2015, 119 (33), pp.10478--10487. ⟨10.1021/acs.jpcb.5b05593⟩ Article dans une revue hal-01498010v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Biochemical, structural and dynamical characterizations of the lactate dehydrogenase from Selenomonas ruminantium provide information about an intermediate evolutionary step prior to complete allosteric regulation acquisition in the super family of lactate and malate dehydrogenases Quentin Bertrand , Sandrine Coquille , Antonio Iorio , Fabio Sterpone , Dominique Madern Journal of Structural Biology, 2023, 215 (4), pp.108039. ⟨10.1016/j.jsb.2023.108039⟩ Article dans une revue hal-04264065v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Inquiring Protein Thermostability: Is Resistance to Temperature Stress a Rigidity/Flexibility Trade-off? Maria Kalimeri , Simone Melchionna , Fabio Sterpone Proceedings of the European Conference on Complex Systems 2012, Springer International Publishing, 2013 Chapitre d'ouvrage hal-01498090v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Using Computer Simulations and Virtual Reality to Understand, Design and Optimize Artificial Water Channels Xavier Martinez , Arthur Hardiagon , Hubert Santuz , Samuel Murail , Mihail Barboiu , et al. Lecture Notes in Bioengineering / Advances in Bionanomaterials II Selected Papers from the 3rd International Conference on Bio and Nanomaterials, BIONAM 2019, September 29 – October 3, 2019, pp.78-99, 2020, ⟨10.1007/978-3-030-47705-9_8⟩ Chapitre d'ouvrage hal-02944941v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Aggregation of disease-related peptides Phuong H. Nguyen , Fabio Sterpone , Philippe Derreumaux Progress in Molecular Biology and Translational Science, 170, Elsevier, pp.435-460, 2020, Computational Approaches for Understanding Dynamical Systems: Protein Folding and Assembly, ⟨10.1016/bs.pmbts.2019.12.002⟩ Chapitre d'ouvrage hal-03087681v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Reorientation and Allied Dynamics in Water and Aqueous Solutions Damien Laage , Guillaume Stirnemann , Fabio Sterpone , Rey Rossend , James T Hynes Annual Review of Physical Chemistry, 2011, 62, pp.395--416 Article dans une revue hal-01498125v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Importance of the Ion-Pair Interactions in the OPEP Coarse-Grained Force Field: Parametrization and Validation Fabio Sterpone , Phuong H. Nguyen , Maria Kalimeri , Philippe Derreumaux Journal of Chemical Theory and Computation, 2013, 9 (10), pp.4574--4584. ⟨10.1021/ct4003493⟩ Article dans une revue hal-01498059v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Modelling lipid systems in fluid with Lattice Boltzmann Molecular Dynamics simulations and hydrodynamics Astrid F. Brandner , Stepan Timr , Simone Melchionna , Philippe Derreumaux , Marc Baaden , et al. Scientific Reports, 2019, 9, pp.16450. ⟨10.1038/s41598-019-52760-y⟩ Article dans une revue hal-02370975v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Sequestration of Proteins in Stress Granules Relies on the In-Cell but Not the In Vitro Folding Stability Nirnay Samanta , Sara Ribeiro , Mailin Becker , Emeline Laborie , Roland Pollak , et al. Journal of the American Chemical Society, 2021, 143 (47), pp.19909-19918. ⟨10.1021/jacs.1c09589⟩ Article dans une revue hal-03827043v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Multilevel Lattice Boltzmann-Particle Dynamics simulations at the Physics-Biology interface Fabio Sterpone , Massimo Bernaschi , Simone Melchionna , Philippe Derreumaux , Sauro Succi XXIXth IUPAP Conference on Computational Physics CCP2017 9–13 July 2017, Paris, France, Jul 2017, Paris, France Communication dans un congrès hal-02359987v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Stabilizing or Destabilizing: Simulations of Chymotrypsin Inhibitor 2 under Crowding Reveal Existence of a Crossover Temperature Stepan Timr , Fabio Sterpone Journal of Physical Chemistry Letters, 2021, 12, pp.1741-1746. ⟨10.1021/acs.jpclett.0c03626⟩ Article dans une revue hal-03139158v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Early Stage of the Dehydrogenation of NaAlH4 by Ab Initio Rare Event Simulations Fabio Sterpone , Sara Bonella , Simone Meloni Journal of Physical Chemistry C, 2012, 116 (37), pp.19636--19643. ⟨10.1021/jp3019588⟩ Article dans une revue hal-01498114v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Thermophilic proteins: insight and perspective from in silico experiments Fabio Sterpone , Simone Melchionna Chemical Society Reviews, 2012, 41 (5), pp.1665-1676. ⟨10.1039/c1cs15199a⟩ Article dans une revue hal-01498109v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Optimized OPEP Force Field for Simulation of Crowded Protein Solutions Stepan Timr , Simone Melchionna , Philippe Derreumaux , Fabio Sterpone Journal of Physical Chemistry B, 2023, 127 (16), pp.3616-3623. ⟨10.1021/acs.jpcb.3c00253⟩ Article dans une revue hal-04234930v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Dynamics and Structures of Amyloid Aggregates under Fluid Flows Antonio Iorio , Simone Melchionna , Philippe Derreumaux , Fabio Sterpone Journal of Physical Chemistry Letters, 2024, 15 (7), pp.1943-1949. ⟨10.1021/acs.jpclett.3c03084⟩ Article dans une revue pasteur-04534373v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Magnitude and Molecular Origin of Water Slowdown Next to a Protein Fabio Sterpone , Guillaume Stirnemann , Damien Laage Journal of the American Chemical Society, 2012, 134 (9), pp.4116--4119. ⟨10.1021/ja3007897⟩ Article dans une revue hal-01498111v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Stability and Function at High Temperature. What Makes a Thermophilic GTPase Different from Its Mesophilic Homologue Marina Katava , Maria Kalimeri , Guillaume Stirnemann , Fabio Sterpone Journal of Physical Chemistry B, 2016, 120, pp.2721--2730. ⟨10.1021/acs.jpcb.6b00306⟩ Article dans une revue hal-01497992v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

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Coarse-grained and All-atom Simulations towards the Early and Late Steps of Amyloid Fibril Formation

Stability Effect of Quinary Interactions Reversed by Single Point Mutations

MOLECULAR MODELLING AND SIMULATION: FROM BIOLOGICAL SYSTEMS TO MATERIALS

Multiscale simulation of molecular processes in cellular environments

Hydrodynamic effects on beta-amyloid (16-22) peptide aggregation

Binding site plasticity regulation of the FimH catch-bond mechanism

Explicit Models of Motion to Understand Protein Side-Chain Dynamics

How protein Surfaces Induce nomalous Dynamics of Hydration Water

OPEP6: A New Constant-pH Molecular Dynamics Simulation Scheme with OPEP Coarse-Grained Force Field

Molecular dynamics simulations reveal statistics and microscopic mechanisms of water permeation in membrane-embedded artificial water channel nanoconstructs

Hydroxy Channels–Adaptive Pathways for Selective Water Cluster Permeation

Thermal activation of 'allosteric- like' large-scale motions in a eukaryotic Lactate Dehydrogenase

The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems

Structures of the Alzheimer\textquoterights Wild-Type A beta 1-40 Dimer from Atomistic Simulations

Biochemical, structural and dynamical characterizations of the lactate dehydrogenase from Selenomonas ruminantium provide information about an intermediate evolutionary step prior to complete allosteric regulation acquisition in the super family of lactate and malate dehydrogenases

Inquiring Protein Thermostability: Is Resistance to Temperature Stress a Rigidity/Flexibility Trade-off?

Using Computer Simulations and Virtual Reality to Understand, Design and Optimize Artificial Water Channels

Aggregation of disease-related peptides

Reorientation and Allied Dynamics in Water and Aqueous Solutions

Importance of the Ion-Pair Interactions in the OPEP Coarse-Grained Force Field: Parametrization and Validation

Modelling lipid systems in fluid with Lattice Boltzmann Molecular Dynamics simulations and hydrodynamics

Sequestration of Proteins in Stress Granules Relies on the In-Cell but Not the In Vitro Folding Stability

Multilevel Lattice Boltzmann-Particle Dynamics simulations at the Physics-Biology interface

Stabilizing or Destabilizing: Simulations of Chymotrypsin Inhibitor 2 under Crowding Reveal Existence of a Crossover Temperature

Early Stage of the Dehydrogenation of NaAlH4 by Ab Initio Rare Event Simulations

Thermophilic proteins: insight and perspective from in silico experiments

Optimized OPEP Force Field for Simulation of Crowded Protein Solutions

Dynamics and Structures of Amyloid Aggregates under Fluid Flows

Magnitude and Molecular Origin of Water Slowdown Next to a Protein

Stability and Function at High Temperature. What Makes a Thermophilic GTPase Different from Its Mesophilic Homologue