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Defective AMH signaling disrupts GnRH neuron development and function and contributes to hypogonadotropic hypogonadism.

Malone SA, Papadakis GE, Messina A, Mimouni NEH, Trova S, Imbernon M, Allet C, Cimino I, Acierno J, Cassatella D, Xu C, Quinton R, Szinnai G, Pigny P, Alonso-Cotchico L, Masgrau L, Maréchal JD, Prevot V, Pitteloud N, Giacobini P. Malone SA, et al. Among authors: marechal jd. Elife. 2019 Jul 10;8:e47198. doi: 10.7554/eLife.47198. Elife. 2019. PMID: 31291191 Free PMC article.

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Computational insight into the interaction of oxaliplatin with insulin.

Sciortino G, Sánchez-Aparicio JE, Rodríguez-Guerra Pedregal J, Garribba E, Maréchal JD. Sciortino G, et al. Among authors: marechal jd. Metallomics. 2019 Apr 17;11(4):765-773. doi: 10.1039/c8mt00341f. Metallomics. 2019. PMID: 30724953

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An Artificial Hemoprotein with Inducible Peroxidase- and Monooxygenase-Like Activities.

Kariyawasam K, Di Meo T, Hammerer F, Valerio-Lepiniec M, Sciortino G, Maréchal JD, Minard P, Mahy JP, Urvoas A, Ricoux R. Kariyawasam K, et al. Among authors: marechal jd. Chemistry. 2020 Nov 20;26(65):14929-14937. doi: 10.1002/chem.202002434. Epub 2020 Oct 16. Chemistry. 2020. PMID: 32588931

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BioMetAll: Identifying Metal-Binding Sites in Proteins from Backbone Preorganization.

Sánchez-Aparicio JE, Tiessler-Sala L, Velasco-Carneros L, Roldán-Martín L, Sciortino G, Maréchal JD. Sánchez-Aparicio JE, et al. Among authors: marechal jd. J Chem Inf Model. 2021 Jan 25;61(1):311-323. doi: 10.1021/acs.jcim.0c00827. Epub 2020 Dec 18. J Chem Inf Model. 2021. PMID: 33337144

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Molecular Modeling for Artificial Metalloenzyme Design and Optimization.

Alonso-Cotchico L, Rodrı Guez-Guerra J, Lledós A, Maréchal JD. Alonso-Cotchico L, et al. Among authors: marechal jd. Acc Chem Res. 2020 Apr 21;53(4):896-905. doi: 10.1021/acs.accounts.0c00031. Epub 2020 Apr 1. Acc Chem Res. 2020. PMID: 32233391

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GPathFinder: Identification of Ligand-Binding Pathways by a Multi-Objective Genetic Algorithm.

Sánchez-Aparicio JE, Sciortino G, Herrmannsdoerfer DV, Chueca PO, Pedregal JR, Maréchal JD. Sánchez-Aparicio JE, et al. Among authors: marechal jd. Int J Mol Sci. 2019 Jun 28;20(13):3155. doi: 10.3390/ijms20133155. Int J Mol Sci. 2019. PMID: 31261636 Free PMC article.

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Biospeciation of Potential Vanadium Drugs of Acetylacetonate in the Presence of Proteins.

Sciortino G, Ugone V, Sanna D, Lubinu G, Ruggiu S, Maréchal JD, Garribba E. Sciortino G, et al. Among authors: marechal jd. Front Chem. 2020 May 7;8:345. doi: 10.3389/fchem.2020.00345. eCollection 2020. Front Chem. 2020. PMID: 32457872 Free PMC article.

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Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.

Streltsov VA, Luang S, Peisley A, Varghese JN, Ketudat Cairns JR, Fort S, Hijnen M, Tvaroška I, Ardá A, Jiménez-Barbero J, Alfonso-Prieto M, Rovira C, Mendoza F, Tiessler-Sala L, Sánchez-Aparicio JE, Rodríguez-Guerra J, Lluch JM, Maréchal JD, Masgrau L, Hrmova M. Streltsov VA, et al. Among authors: marechal jd. Nat Commun. 2019 May 20;10(1):2222. doi: 10.1038/s41467-019-09691-z. Nat Commun. 2019. PMID: 31110237 Free PMC article.

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Cofactor Binding Dynamics Influence the Catalytic Activity and Selectivity of an Artificial Metalloenzyme.

Villarino L, Chordia S, Alonso-Cotchico L, Reddem E, Zhou Z, Thunnissen AMWH, Maréchal JD, Roelfes G. Villarino L, et al. Among authors: marechal jd. ACS Catal. 2020 Oct 16;10(20):11783-11790. doi: 10.1021/acscatal.0c01619. Epub 2020 Sep 18. ACS Catal. 2020. PMID: 33101759 Free PMC article.

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An Artificial Heme Enzyme for Cyclopropanation Reactions.

Villarino L, Splan KE, Reddem E, Alonso-Cotchico L, Gutiérrez de Souza C, Lledós A, Maréchal JD, Thunnissen AWH, Roelfes G. Villarino L, et al. Among authors: marechal jd. Angew Chem Int Ed Engl. 2018 Jun 25;57(26):7785-7789. doi: 10.1002/anie.201802946. Epub 2018 May 29. Angew Chem Int Ed Engl. 2018. PMID: 29719099 Free PMC article.

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