Bernard Maigret - researchr alias

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Viewing Publication 1 - 12 from 12

2022

Singular Interface Dynamics of the SARS-CoV-2 Delta Variant Explained with Contact Perturbation AnalysisAria Gheeraert, Laurent Vuillon, Laurent Chaloin, Olivier Moncorgé, Thibaut Very, Serge Perez, Vincent Leroux, Isaure Chauvot de Beauchêne, Dominique Mias-Lucquin, Marie-Dominique Devignes, Ivan Rivalta, Bernard Maigret. jcisd, 62(12):3107-3122, 2022. [doi]

2019

Searching in Silico Novel Targets for Specific Coffee Rust Disease ControlJonathan D. Lima, Bernard Maigret, Diana Fernandez, Jennifer Decloquement, Danilo Pinho, Erika V. S. Albuquerque, Marcelo O. Rodrigues, Natália Florencio Martins. wob 2020: 109-115 [doi]

2016

GPCRs from fusarium graminearum detection, modeling and virtual screening - the search for new routes to control head blight diseaseEmmanuel Bresso, Roberto C. Togawa, Kim E. Hammond-Kosack, Martin Urban, Bernard Maigret, Natália Florencio Martins. bmcbi, 17(S-18):39-52, 2016. [doi]

Trypanosoma cruzi prolyl oligopeptidase inhibitors by structure-based virtual screeningHugo de Almeida, Vincent Leroux, Flávia Nader Motta, Philippe Grellier, Bernard Maigret, Jaime M. Santana, Izabela Marques Dourado Bastos. jcamd, 30(12):1165-1174, 2016. [doi]

2010

Comparison of Three Preprocessing Filters Efficiency in Virtual Screening: Identification of New Putative LXRβ Regulators As a Test CaseLeo Ghemtio, Marie-Dominique Devignes, Malika Smaïl-Tabbone, Michel Souchet, Vincent Leroux, Bernard Maigret. jcisd, 50(5):701-715, 2010. [doi]

2009

A KDD Approach for Designing Filtering Strategies to Improve Virtual ScreeningLeo Ghemtio, Malika SmaÃ¯l-Tabbone, Marie-Dominique Devignes, Michel Souchet, Bernard Maigret. ic3k 2009: 146-151

2001

The search for a new model structure of beta-Factor XIIaElsa S. Henriques, Welly B. Floriano, Nathalie Reuter, André Melo, David Brown, José A. N. F. Gomes, Bernard Maigret, Marco A. C. Nascimento, Maria João Ramos. jcamd, 15(4):309-322, 2001. [doi]

2000

Structural analysis of the KGD sequence loop of barbourin, an alpha-IIb-beta-3-specific disintegrinHervé Minoux, Christophe Chipot, David Brown, Bernard Maigret. jcamd, 14(4):317-327, 2000. [doi]

1998

New approach for representation of molecular surfaceWensheng Cai, Maosen Zhang, Bernard Maigret. jcc, 19(16):1805-1815, 1998. [doi]

Influence of environment on proton-transfer mechanisms in model triads from theoretical calculationsG.-S. Li, Bernard Maigret, Daniel Rinaldi, Manuel F. Ruiz-López. jcc, 19(15):1675-1688, 1998. [doi]

1994

Quantum Mechanical Computations on Very Large Molecular Systems: The Local Self-Consistent Field MethodVincent Théry, Daniel Rinaldi, Jean-Louis Rivail, Bernard Maigret, György G. Ferenczy. jcc, 15(3):269-282, 1994.

1989

Computer simulation of the conformational behavior of cholecystokinin fragments: Conformational families of sulfated CCK8M. Kreissler, M. Pesquer, Bernard Maigret, Marie-Claude Fournié-Zaluski, Bernard-Pierre Roques. jcamd, 3(1):85-94, 1989. [doi]

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