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An atomistic statistically effective energy function for computational protein Design
Christopher Topham
,
Sophie Barbe
,
Isabelle André
Article dans une revue
hal-01886411v1
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Mechanism of HIV-1 integrase inhibition by styrylquinoline derivatives in vitro.
Eric Deprez
,
Sophie Barbe
,
Macieij Kolaski
,
Hervé Leh
,
Fatima Zouhiri
,
et al.
Article dans une revue
hal-00247990v1
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Scalable Coupling of Deep Learning with Logical Reasoning
Marianne Defresne
,
Sophie Barbe
,
Thomas Schiex
2023
Pré-publication, Document de travail
hal-04223116v1
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Scalable Coupling of Deep Learning with Logical Reasoning
Marianne Defresne
,
Thomas Schiex
,
Sophie Barbe
PFIA'23, Jul 2023, Strasbourg, France
Communication dans un congrès
hal-04223509v1
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A single amino acid directs Candida rugosa lipases enantioselectivity towards 2-halogeno substituted aryl acetic acid esters
Rungtiwa Piamtongkam
,
Sophie Duquesne
,
Sophie Barbe
,
Isabelle André
,
Chulalaksananukule Warawut
,
et al.
Congrès annuel de la SFBBM, Oct 2011, Ax Les Thermes, France
Poster de conférence
hal-04218218v1
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Computational design of enzymes for cell-free biocatalysis
Delphine Dessaux
,
Sam Mallinson
,
Yannick Bomble
,
Sophie Barbe
GGMM 2021, Sep 2021, Villeneuve d’Ascq, France
Poster de conférence
hal-04223599v1
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AI-powered protein design
Sophie Barbe
Active Enzyme Molecule (AEM) 2022 Conference, Sep 2022, Toyama, Japan
Communication dans un congrès
hal-04223572v1
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Seven amino acid types suffice to reconstruct the core fold of RNA polymerase
Sota Yagi
,
Aditya Padhi
,
Jelena Vucinic
,
Sophie Barbe
,
Thomas Schiex
,
et al.
2023
Pré-publication, Document de travail
hal-04223306v1
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Computational Protein Design
Sophie Barbe
GGMM 2021, Sep 2021, Villeneuve d’Ascq, France
Communication dans un congrès
hal-04223590v1
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Study and engineering of bacterial microcompartment hexameric shell proteins for the design of a platform for synthetic biology.
Lucie Barthe
,
Luis Garcia-Alles
,
Delphine Dessaux
,
Jeremy Esque
,
Sophie Barbe
Symposium on Synthetic and Systems Biology (BioSynSys2023), Jul 2023, Toulouse, France
Poster de conférence
hal-04223514v1
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Structural Investigation of the Thermostability and Product Specificity of Amylosucrase from the Bacterium Deinococcus geothermalis
Frédéric Guerin
,
Sophie Barbe
,
Sandra Serin
,
Gabrielle Veronese
,
David Guieysse
,
et al.
Article dans une revue
hal-01268407v1
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Extending the Chemical Space of CAZymes
Régis Fauré
,
Virginie Ramillon-Delvolve
,
Nuria Ramos
,
Robert Quast
,
Mikael Bols
,
et al.
19th European Carbohydrate Symposium, 2017, NA, France. 2017
Poster de conférence
hal-01606977v1
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Computational protein design as a cost function network optimization problem
Thomas Schiex
,
David Allouche
,
Simon de Givry
,
George Katsirelos
,
Sophie Barbe
,
et al.
Séminaire MOGISA du LAAS/CNRS, Centre National de la Recherche Scientifique (CNRS). FRA., Jun 2013, Toulouse, France
Communication dans un congrès
hal-01268632v1
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Guaranteed Discrete Energy Optimization on Large Protein Design Problems
David Simoncini
,
David Allouche
,
Simon de Givry
,
Céline Delmas
,
Sophie Barbe
,
et al.
Article dans une revue
hal-02637306v1
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An engineered PET depolymerase to break down and recycle plastic bottles
V. Tournier
,
C. Topham
,
A. Gilles
,
B. David
,
C. Folgoas
,
et al.
Article dans une revue
hal-02545880v1
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Enantioselectivity of Candida rugosa Lipases (Lip1, Lip3, and Lip4) Towards 2-Bromo Phenylacetic Acid Octyl Esters Controlled by a Single Amino Acid
Rungtiwa Piamtongkam
,
Sophie S. Duquesne
,
Florence Bordes
,
Sophie Barbe
,
Isabelle André
,
et al.
Article dans une revue
istex
hal-02652026v1
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Scalable Coupling of Deep Learning with Logical Reasoning
Marianne Defresne
,
Sophie Barbe
,
Thomas Schiex
Proceedings/Recueil des communications
hal-04222770v1
|
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Computational Design of miniprotein binders
Younes Bouchiba
,
Manon Ruffini
,
Juan Cortés
,
Thomas Schiex
,
Sophie Barbe
GGMM 2021, Sep 2021, Villeneuve d’Ascq, France
Communication dans un congrès
hal-04223596v1
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Computational enzyme design of cofactor specificity for cell-free biocatalysis
Delphine Dessaux
,
Sam Mallinson
,
Yannick Bomble
,
Sophie Barbe
GGMM 2023, May 2023, Toulouse, France
Poster de conférence
hal-04223565v1
|
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Enzyme Active Site Loop Revealed as Gatekeeper for Cofactor Flip by Targeted Molecular Dynamics Simulations and FRET-kinetics
Sophie Rahuel-Clermont
,
R Bchini
,
Sophie Barbe
,
S Boutserin
,
I. Andre
,
et al.
Molecular Biophysics: ABC of the puzzle of Life ARBRE-MOBIEU Plenary Meeting., Mar 2019, Zagreb, Croatia
Poster de conférence
hal-02075703v1
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Insights into lid movements of Burkholderia cepacia lipase inferred from molecular dynamics simulations
Sophie Barbe
,
Vincent Lafaquière
,
David Guieysse
,
Pierre Monsan
,
Magali Remaud Simeon
,
et al.
Article dans une revue
hal-02660544v1
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Three ParA Dimers Cooperatively Assemble on Type Ia Partition Promoters
François Boudsocq
,
Maya Salhi
,
Sophie Barbe
,
Jean-Yves Bouet
Article dans une revue
hal-03358090v1
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Deterministic search methods for computational protein design
Seydou Traore
,
David Allouche
,
Isabelle André
,
Thomas Schiex
,
Sophie Barbe
Chapitre d'ouvrage
hal-01605191v1
|
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Positive multistate protein design
Jelena Vucinic
,
David Simoncini
,
Manon Ruffini
,
Sophie Barbe
,
Thomas Schiex
Article dans une revue
hal-02625007v1
|
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A Structure-Controlled Investigation of Lipase Enantioselectivity by a Path-Planning Approach
David Guieysse
,
Juan Cortés
,
Sophie Puech-Guenot
,
Sophie Barbe
,
Vincent Lafaquière
,
et al.
Article dans une revue
istex
hal-01986375v1
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Control of Lipase Enantioselectivity by Engineering the Substrate Binding Site and Access Channel
Vincent Lafaquière
,
Sophie Barbe
,
Sophie Puech-Guenot
,
David Guieysse
,
Juan Cortés
,
et al.
Article dans une revue
hal-01986285v1
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Learning to Reason: Predict-then-Optimize vs Predict-and-Optimize
Marianne Defresne
,
Thomas Schiex
,
Sophie Barbe
AAAI 2023 Bridge on Constraint Programming and Machine Learning, Feb 2023, Washington, United States
Communication dans un congrès
hal-04222883v1
|
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Scalable Coupling of Deep Learning with Logical Reasoning
Marianne Defresne
,
Sophie Barbe
,
Thomas Schiex
Thirty-Second International Joint Conference on Artificial Intelligence (IJCAI-23), Aug 2023, Macao, China. pp.3615-3623, ⟨10.24963/ijcai.2023/402⟩
Communication dans un congrès
hal-04223210v1
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Computational design of the cofactor specificity of GAPN enzyme for cell-free biocatalysis
Delphine Dessaux
,
Sam Mallinson
,
Yannick Bomble
,
Sophie Barbe
29ième colloque du Club Biocatalyse en Synthèse Organique, CBSO, Jun 2022, En ligne, France
Communication dans un congrès
hal-04223580v1
|
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A Comparative Study to Decipher the Structural and Dynamics Determinants Underlying the Activity and Thermal Stability of GH-11 Xylanases
Jelena Vucinic
,
Gleb Novikov
,
Cédric Montanier
,
Claire Dumon
,
Thomas Schiex
,
et al.
Article dans une revue
hal-03244138v1
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