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Racine

Serveur d'exploration sur la recherche en informatique en Lorraine

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Le cluster Bernard Maigret - Vincent Leroux

Terms

53Bernard Maigret
16Vincent Leroux
13Michel Souchet

Associations

Freq.WeightAssociation
160.549Bernard Maigret - Vincent Leroux
100.381Bernard Maigret - Michel Souchet
Documents par ordre de pertinence
001979 (2012-08-28) Leo Ghemtio [France] ; Violeta Pérez-Nueno [France] ; Vincent Leroux [Norvège] ; Yasmine Asses [France] ; Michel Souchet [France] ; Lazaros Mavridis [France] ; Bernard Maigret [France] ; David Ritchie [France]Recent Trends and Applications in 3D Virtual Screening
002F29 (2010) Léo Ghemtio [France] ; Marie-Dominique Devignes ; Malika Smaïl-Tabbone ; Michel Souchet ; Vincent Leroux ; Bernard MaigretComparison of three preprocessing filters efficiency in virtual screening: identification of new putative LXRbeta regulators as a test case.
003181 (2010) Léo Ghemtio [France] ; Marie-Dominique Devignes [France] ; Malika Smaïl-Tabbone [France] ; Michel Souchet [France] ; Vincent Leroux [France] ; Bernard Maigret [France]Comparison of Three Preprocessing Filters Efficiency in Virtual Screening: Identification of New Putative LXRβ Regulators As a Test Case
000663 (2015-01-01) Romain Gerbier [France] ; Vincent Leroux [France] ; Pierre Couvineau [France] ; Rodrigo Alvear-Perez [France] ; Bernard Maigret [France] ; Catherine Llorens-Cortes [France] ; Xavier Iturrioz [France]New structural insights into the apelin receptor: identification of key residues for apelin binding
000759 (2015) Ana Karina Rodrigues Abadio [Brésil] ; Erika Seki Kioshima [Brésil] ; Vincent Leroux [France] ; Natalia Florêncio Martins [Brésil] ; Bernard Maigret [France] ; Maria Sueli Soares Felipe [Brésil]Identification of New Antifungal Compounds Targeting Thioredoxin Reductase of Paracoccidioides Genus.
001248 (2013-04-10) Arnaud S. Karaboga [France] ; Florent Petronin [France] ; Gino Marchetti [France] ; Michel Souchet [France] ; Bernard Maigret [France]Benchmarking of HPCC: A novel 3D molecular representation combining shape and pharmacophoric descriptors for efficient molecular similarity assessments
001408 (2013) Arnaud S. Karaboga [France] ; Florent Petronin ; Gino Marchetti ; Michel Souchet ; Bernard MaigretBenchmarking of HPCC: A novel 3D molecular representation combining shape and pharmacophoric descriptors for efficient molecular similarity assessments.
001E39 (2012) Yasmine Asses [France] ; Vishwesh Venkatraman [France] ; Vincent Leroux [France, Norvège] ; David W. Ritchie [France] ; Bernard Maigret [France]Exploring c‐Met kinase flexibility by sampling and clustering its conformational space
001E93 (2012) Alessandro Furlan [France] ; Francesco Colombo [Italie] ; Andrea Kover [Espagne] ; Nathalie Issaly [France] ; Cristina Tintori [Italie] ; Lucilla Angeli [Italie] ; Vincent Leroux [France, Norvège] ; Sebastien Letard [France] ; Mercedes Amat [Espagne] ; Yasmine Asses [France] ; Bernard Maigret [France] ; Patrice Dubreuil [France] ; Maurizio Botta [Italie] ; Rosanna Dono [France] ; Joan Bosch [Espagne] ; Oreste Piccolo [Italie] ; Daniele Passarella [Italie] ; Flavio Maina [France]Identification of new aminoacid amides containing the imidazo[2,1-b] benzothiazol-2-ylphenyl moiety as inhibitors of tumorigenesis by oncogenic Met signaling
002517 (2011) Leo Ghemtio [France] ; Michel Souchet [France] ; Appolinaire Djikeng [États-Unis] ; Lionel Keminse [France] ; Patricia Kelbert [France] ; David Ritchie [France] ; Bernard Maigret [France] ; Odile Ouwe-Missi-Oukem-Boyer [Cameroun]HIV-PDI: A Protein Drug Interaction Resource for Structural Analyses of HIV Drug Resistance: 2. Examples of Use and Proof-of-Concept
002C94 (2010-05-24) Xavier Iturrioz ; Rodrigo Alvear-Perez ; Nadia De Mota ; Christel Franchet ; Fabrice Guillier ; Vincent Leroux [France] ; Hubert Dabire ; Melissande Le Jouan ; Hadjila Chabane ; Romain Gerbier ; Dominique Bonnet ; Alain Berdeaux ; Bernard Maigret [France] ; Jean-Luc Galzi ; Marcel Hibert ; Catherine Llorens-CortesIdentification and pharmacological properties of E339-3D6, the first nonpeptidic apelin receptor agonist
002F30 (2010) Xavier Iturrioz ; Romain Gerbier [France] ; Vincent Leroux ; Rodrigo Alvear-Perez ; Bernard Maigret ; Catherine Llorens-CortesBy Interacting with the C-terminal Phe of Apelin, Phe255 and Trp259 in Helix VI of the Apelin Receptor Are Critical for Internalization*
003366 (2009-10-06) Léo Ghemtio [France] ; Malika Smail-Tabbone [France] ; Marie-Dominique Devignes [France] ; Michel Souchet ; Bernard Maigret [France]A KDD Approach for Designing Filtering Strategies to Improve Virtual Screening
003A06 (2009) Yasmine Asses [France] ; Vincent Leroux [France] ; Safia Tairi-Kellou [Algérie] ; Rosanna Dono [France] ; Flavio Maina [France] ; Bernard Maigret [France]Analysis of c‐Met Kinase Domain Complexes: A New Specific Catalytic Site Receptor Model for Defining Binding Modes of ATP‐Competitive Ligands
003F38 (2008-06-30) Leo Ghemtio [France] ; Emmanuel Bresso ; Michel Souchet ; Bernard Maigret [France] ; Malika Smaïl-Tabbone [France] ; Marie-Dominique Devignes [France]Model-driven data integration for mining protein-ligand and protein-protein interactions in a drug design context.
004155 (2008) Wensheng Cai ; Jiawei Xu ; Xueguang Shao ; Vincent Leroux [France] ; Alexandre Beautrait ; Bernard Maigret [France]SHEF: a vHTS geometrical filter using coefficients of spherical harmonic molecular surfaces
004190 (2008) Alexandre Beautrait [France] ; Arnaud S. Karaboga ; Michel Souchet ; Bernard Maigret [France]Cluster Induced fit in liver X receptor beta: a molecular dynamics-based investigation
004198 (2008) Salvatore Patané [France] ; Nicolas Pietrancosta [France] ; Hessameh Hassani [France] ; Vincent Leroux [France] ; Bernard Maigret [France] ; Jean-Louis Kraus ; Rosanna Dono [France] ; Flavio Maina [France]A new Met inhibitory-scaffold identified by a focused forward chemical biological screen.
004314 (2008) Wensheng Cai [République populaire de Chine] ; Jiawei Xu [République populaire de Chine] ; Xueguang Shao [République populaire de Chine] ; Vincent Leroux [France] ; Alexandre Beautrait [France] ; Bernard Maigret [France]SHEF: a vHTS geometrical filter using coefficients of spherical harmonic molecular surfaces
004370 (2008) Alexandre Beautrait [France] ; Arnaud S. Karaboga [France] ; Michel Souchet [France] ; Bernard Maigret [France]Induced fit in liver X receptor beta: A molecular dynamics‐based investigation
004A39 (2007) Vincent Leroux [France] ; Nohad Gresh ; Wang-Qing Liu ; Christiane Garbay ; Bernard Maigret [France]Role of water molecules for binding inhibitors in the SH2 domain of Grb2: a molecular dynamics study
004C22 (2007) Alexandre Beautrait [France] ; Vincent Leroux [France] ; Matthieu Chavent [France] ; Léo Ghemtio [France] ; Marie-Dominique Devignes [France] ; Malika Smaïl-Tabbone [France] ; Wensheng Cai [République populaire de Chine] ; Xuegang Shao [République populaire de Chine] ; Gilles Moreau [France] ; Peter Bladon [Royaume-Uni] ; Jianhua Yao [République populaire de Chine] ; Bernard Maigret [France]Multiple-step virtual screening using VSM-G: overview and validation of fast geometrical matching enrichment
004E33 (2007) Vincent Leroux [France] ; Bernard Maigret [France]Should structure-based virtual screening techniques be used more extensively in modern drug discovery ?
000141 (2016) Marc F. Lensink [France] ; Sameer Velankar [Royaume-Uni] ; Andriy Kryshtafovych [États-Unis] ; Shen-You Huang [États-Unis] ; Dina Schneidman-Duhovny [États-Unis] ; Andrej Sali [États-Unis] ; Joan Segura [Espagne] ; Narcis Fernandez-Fuentes [Royaume-Uni] ; Shruthi Viswanath [États-Unis] ; Ron Elber [États-Unis] ; Sergei Grudinin [France] ; Petr Popov [France] ; Emilie Neveu [France] ; Hasup Lee [Corée du Sud] ; Minkyung Baek [Corée du Sud] ; Sangwoo Park [Corée du Sud] ; Lim Heo [Corée du Sud] ; Gyu Rie Lee [Corée du Sud] ; Chaok Seok [Corée du Sud] ; Sanbo Qin [États-Unis] ; Huan-Xiang Zhou [États-Unis] ; David W. Ritchie [France] ; Bernard Maigret [France] ; Marie-Dominique Devignes [France] ; Anisah Ghoorah ; Mieczyslaw Torchala [Royaume-Uni] ; Raphaël A G. Chaleil [Royaume-Uni] ; Paul A. Bates [Royaume-Uni] ; Efrat Ben-Zeev [Israël] ; Miriam Eisenstein [Israël] ; Surendra S. Negi [États-Unis] ; Zhiping Weng [États-Unis] ; Thom Vreven [États-Unis] ; Brian G. Pierce [États-Unis] ; Tyler M. Borrman [États-Unis] ; Jinchao Yu [États-Unis] ; Françoise Ochsenbein [États-Unis] ; Raphaël Guerois [États-Unis] ; Anna Vangone [France] ; João P G L M. Rodrigues [France] ; Gydo Van Zundert [France] ; Mehdi Nellen [France] ; Li Xue [France] ; Ezgi Karaca [France] ; Adrien S J. Melquiond [France] ; Koen Visscher [France] ; Panagiotis L. Kastritis [France] ; Alexandre M J J. Bonvin [France] ; Xianjin Xu [Pays-Bas] ; Liming Qiu [Pays-Bas] ; Chengfei Yan [Pays-Bas] ; Jilong Li [États-Unis] ; Zhiwei Ma [Pays-Bas] ; Jianlin Cheng [États-Unis] ; Xiaoqin Zou [Pays-Bas] ; Yang Shen [États-Unis] ; Lenna X. Peterson [États-Unis] ; Hyung-Rae Kim [États-Unis] ; Amit Roy [États-Unis] ; Xusi Han [États-Unis] ; Juan Esquivel-Rodriguez [États-Unis] ; Daisuke Kihara [États-Unis] ; Xiaofeng Yu [États-Unis] ; Neil J. Bruce [États-Unis] ; Jonathan C. Fuller [États-Unis] ; Rebecca C. Wade [États-Unis] ; Ivan Anishchenko [Allemagne] ; Petras J. Kundrotas [Allemagne] ; Ilya A. Vakser [Allemagne] ; Kenichiro Imai [États-Unis] ; Kazunori Yamada [États-Unis] ; Toshiyuki Oda [États-Unis] ; Tsukasa Nakamura [Japon] ; Kentaro Tomii [États-Unis] ; Chiara Pallara [Japon] ; Miguel Romero-Durana [Japon] ; Brian Jiménez-García [Japon] ; Iain H. Moal [Espagne] ; Juan Férnandez-Recio [Espagne] ; Jong Young Joung [Corée du Sud] ; Jong Yun Kim [Corée du Sud] ; Keehyoung Joo [Corée du Sud] ; Jooyoung Lee [Corée du Sud] ; Dima Kozakov [États-Unis] ; Sandor Vajda [États-Unis] ; Scott Mottarella [États-Unis] ; David R. Hall [États-Unis] ; Dmitri Beglov [États-Unis] ; Artem Mamonov [États-Unis] ; Bing Xia [États-Unis] ; Tanggis Bohnuud [États-Unis] ; Carlos A. Del Carpio [États-Unis] ; Eichiro Ichiishi [Japon] ; Nicholas Marze [États-Unis] ; Daisuke Kuroda [États-Unis] ; Shourya S. Roy Burman [États-Unis] ; Jeffrey J. Gray [États-Unis] ; Edrisse Chermak [Arabie saoudite] ; Luigi Cavallo [Arabie saoudite] ; Romina Oliva [Italie] ; Andrey Tovchigrechko [États-Unis] ; Shoshana J. Wodak [Canada]Prediction of homo- and hetero-protein complexes by protein docking and template-based modeling: a CASP-CAPRI experiment.
000413 (2015-08-07) Violeta Pérez-Nueno [France] ; Arnaud S. Karaboga [France] ; Michel Souchet [France] ; David Ritchie [France]GESSE: Predicting Drug Side Effects from Drug–Target Relationships
000C82 (2014-02-04) Violeta Pérez-Nueno [France] ; Arnaud S. Karaboga [France] ; Michel Souchet [France] ; David Ritchie [France]GES Polypharmacology Fingerprints: A Novel Approach for Drug Repositioning
000E37 (2014) Florent Ferrari [France] ; Cédric Paris [France] ; Bernard Maigret [France] ; Christelle Bidouil [France] ; Stephane Delaunay [France] ; Catherine Humeau [France] ; Isabelle Chevalot [France]Molecular rules for chemo- and regio-selectivity of Candida antarctica lipase B in peptide acylation reactions
001068 (2013-08-21) Hugo De Almeida [France] ; Izabela Bastos [Brésil] ; Bergman Ribeiro [France] ; Bernard Maigret [France] ; Jaime Santana [Brésil]New Binding Site Conformations of the Dengue Virus NS3 Protease Accessed by Molecular Dynamics Simulation
002033 (2011-10-26) Emmanuel Bresso [France] ; Sidahmed Benabderrahmane [France] ; Malika Smaïl-Tabbone [France] ; Gino Marchetti ; Arnaud Sinan Karaboga ; Michel Souchet [France] ; Amedeo Napoli [France] ; Marie-Dominique Devignes [France]Use of domain knowledge for dimension reduction: application to mining of drug side effects
002469 (2011-01-27) Ana Karina R. Abadio ; Erika S. Kioshima ; Marcus M. Teixeira ; Natalia F. Martins ; Bernard Maigret [France] ; Maria Sueli S. FelipeComparative genomics allowed the identification of drug targets against human fungal pathogens.
002516 (2011) Leo Ghemtio [France] ; Malika Smaïl-Tabbone [France] ; Appolinaire Djikeng [États-Unis] ; Marie-Dominique Devignes [France] ; Lionel Keminse [Cameroun] ; Patricia Kelbert [France] ; Joseph Fokam [Cameroun] ; Bernard Maigret [France] ; Odile Ouwe-Missi-Oukem-Boyer [Cameroun]HIV-PDI: A Protein-Drug Interaction Resource for Structural Analyses of HIV Drug Resistance: 1. Concepts and Associated Database
002814 (2011) Christelle Bidouil [France] ; Eduardo Basilio De Oliveira [Brésil] ; Latifa Chebil [France] ; Elaine-Rose Maia [Brésil] ; Bernard Maigret [France] ; Evelyne Ronat-Heidt [France] ; Mohamed Ghoul [France] ; Jean-Marc Engasser [France] ; Catherine Humeau [France]Combined docking and molecular dynamics simulations to enlighten the capacity of Pseudomonas cepacia and Candida antarctica lipases to catalyze quercetin acetylation
002C98 (2010-05-20) Leo Ghemtio [France] ; Emmanuel Jeannot [France] ; Bernard Maigret [France]Efficiency of a hierarchical protocol for highthroughput structure-based virtual screening on Grid5000 cluster grid
003640 (2009-04-17) Cédric Claperon [France] ; Inmaculada Banegas-Font [France] ; Xavier Iturrioz [France] ; Raphael Rozenfeld [France] ; Bernard Maigret [France] ; Catherine Llorens-Cortes [France]Identification of threonine 348 as a residue involved in aminopeptidase A substrate specificity.
003723 (2009-01-16) Nicolas Floquet [France] ; Philippe Durand [France] ; Bernard Maigret [France] ; Bernard Badet [France] ; Marie-Ange Badet-Denisot [France] ; David Perahia [France]Collective motions in glucosamine-6-phosphate synthase: influence of ligand binding and role in ammonia channelling and opening of the fructose-6-phosphate binding site.
003748 (2009) A. Khalfa ; W. Treptow ; Bernard Maigret [France] ; M. TarekSelf assembly of peptides near or within membranes using coarse grained MD simulations
003782 (2009) Nadine Déliot ; Matthieu Chavent [France] ; Claire Nourry ; P. Lécine ; C. Arnaud ; A. Hermant [France] ; Bernard Maigret [France] ; Jp Borg [France]Biochemical studies and Molecular Dynamics Simulations of Smad3-Erbin interaction identify a non-classical Erbin PDZ binding
003B90 (2009) Eduardo B. De Oliveira [France] ; Catherine Humeau [France] ; Latifa Chebil [France] ; Elaine R. Maia [Brésil] ; François Dehez [France] ; Bernard Maigret [France] ; Mohamed Ghoul [France] ; Jean-Marc Engasser [France]A molecular modelling study to rationalize the regioselectivity in acylation of flavonoid glycosides catalyzed by Candida antarctica lipase B
003D56 (2008-11-15) Cédric Claperon [France] ; Raphael Rozenfeld [France] ; Xavier Iturrioz [France] ; Nicolas Inguimbert [France] ; Mayumi Okada [France] ; Bernard Roques [France] ; Bernard Maigret [France] ; Catherine Llorens-Cortes [France]Asp218 participates with Asp213 to bind a Ca2+ atom into the S1 subsite of aminopeptidase A: a key element for substrate specificity.
004174 (2008) Magali Foucaud ; Elodie Archer-Lahlou ; Esther Marco ; Irina G. Tikhonova ; Bernard Maigret [France] ; Chantal Escrieut ; Ingrid Langer ; Daniel FourmyInsights into the binding and activation sites of the receptors for cholecystokinin and gastrin
004185 (2008) Cédric Claperon ; Raphael Rozenfeld ; Xavier Iturrioz ; Nicolas Inguimbert ; Mayumi Okada ; Bernard Roques [France] ; Bernard Maigret [France] ; Catherine Llorens-CortesContribution of molecular modeling and site-directed mutagenesis to the identification of threonine 348 as a residue involved in aminopeptidase a substrate specificity.
004210 (2008) Matthieu Chavent [France] ; Bruno Levy ; Bernard MaigretMetaMol: high-quality visualization of molecular skin surface.
004392 (2008) Amel Toumi-Maouche [Algérie, France] ; Boubekeur Maouche [Algérie] ; Safia Taïri-Kellou [Algérie] ; Salima El-Aoufi [Algérie] ; Mercedes Martín-Martínez [Espagne] ; Rosario González-Mu Iz [Espagne] ; Daniel Fourmy [France] ; Bernard Maigret [France]Exploring the binding pocket for pyridopyrimidine ligands at the CCK1 receptor by molecular docking
004784 (2007-08) Xavier Iturrioz [France] ; Said El Messari [France] ; N. De Mota [France] ; C. Fassot [France] ; Rodrigo Alvear-Perez [France] ; Bernard Maigret [France] ; Catherine Llorens-Cortes [France]Functional dissociation between apelin receptor signaling and endocytosis: implications for the effects of apelin on arterial blood pressure
004A32 (2007) Irina G. Tikhonova ; Esther Marco ; Elodie Lahlou-Archer ; Ingrid Langer ; Magali Foucaud ; Bernard Maigret [France] ; Daniel FourmyValidated ligand binding sites in CCK receptors. Next step: computer-aided design of novel CCK ligands
004A46 (2007) Carine Bonnon ; Christophe Bel ; Laurence Goutebroze ; Bernard Maigret [France] ; Jean-Antoine Girault ; Catherine Faivre-SarrailhPGY Repeats and N-Glycans Govern the Trafficking of Paranodin and Its Selective Association with Contactin and Neurofascin-155
004A69 (2007) Nicolas Floquet ; Céline Richez ; Philippe Durand ; Bernard Maigret [France] ; Bernard Badet ; Marie-Ange Badet-DenisotDiscovering new inhibitors of bacterial glucosamine-6P synthase (GlmS) by docking simulations
004A73 (2007) Nicolas Floquet ; Stéphane Mouilleron ; Rasha Daher ; Bernard Maigret [France] ; Bernard Badet ; Marie-Ange Badet-DenisotAmmonia channeling in bacterial glucosamine-6-phosphate synthase (Glms): molecular dynamics simulations and kinetic studies of protein mutants
005972 (2005-07-06) Shi-Whei Luo [France] ; Nicolas Ray [France] ; Xavier Cavin [France] ; Bernard Maigret [France]Statistical analysis of protein-protein interactions: Organization and contribution of interfacial residues
005C80 (2005) Shi-Wei Luo ; Xavier Cavin ; Nicolas Ray ; Bernard MaigretStatistical analysis of protein-protein interactions : Organization and contribution of interfacial residues
006081 (2005) Nicolas Ray ; Xavier Cavin ; Jean-Claude Paul ; Bernard MaigretIntersurf : dynamic interface between proteins
006103 (2005) Nicolas Ray [France] ; Xavier Cavin ; Jean-Claude Paul ; Bernard MaigretIntersurf: dynamic interface between proteins.
007627 (2003) Nicolas Ray ; Xavier Cavin ; Bernard MaigretInteractive Poster : Visualizing the Interaction Between Two Proteins
007E07 (2003) Nicolas Ray [France] ; Xavier Cavin [France] ; Bernard MaigretInteractive Poster: Visualizing the Interaction Between Two Proteins
00AF60 (1998) Fabien Campagne ; Amedeo Napoli ; Bernard MaigretDistributed Component Technology : How Could it Help the Biological Data Analysis Task?
00B661 (1998) Fabien Campagne [France] ; Amedeo Napoli [France] ; Bernard Maigret [France]Distributed Component Technology: How Could it Help the Biological Data Analysis Task?
Wicri

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