Computer simulation of the conformational behavior of cholecystokinin fragments: Conformational families of sulfated CCK8. - M. Kreissler; Michel Pesquer; Bernard Maigret; Marie-Claude Fournié-Zaluski; Bernard-Pierre Roques (J. Comput. Aided Mol. Des., 1989)

Computer simulation of the conformational behaviour of angiotensinogen (6-13) renin substrate. - M. Benkoulouche; M. Cotrait; Bernard Maigret (J. Comput. Aided Mol. Des., 1992)

Computational simulations of the conformational behaviour of the adhesive proteins RGDS fragment. - M. Cotrait; M. Kreissler; Jan Hoflack; J.-M. Lehn; Bernard Maigret (J. Comput. Aided Mol. Des., 1992)

Quantum Mechanical Computations on Very Large Molecular Systems: The Local Self-Consistent Field Method. - Vincent Théry; Daniel Rinaldi; Jean-Louis Rivail; Bernard Maigret; György G. Ferenczy (J. Comput. Chem., 1994)

New approach for representation of molecular surface. - Wensheng Cai; Maosen Zhang; Bernard Maigret (J. Comput. Chem., 1998)

Influence of environment on proton-transfer mechanisms in model triads from theoretical calculations. - G.-S. Li; Bernard Maigret; Daniel Rinaldi; Manuel F. Ruiz-López (J. Comput. Chem., 1998)

Visualisation and integration of G protein-coupled receptor related information help the modelling: Description and applications of the Viseur program. - Fabien Campagne; R. Jestin; J. L. Reversat; J.-M. Bernassau; Bernard Maigret (J. Comput. Aided Mol. Des., 1999)

Structural analysis of the KGD sequence loop of barbourin, an alpha-IIb-beta-3-specific disintegrin. - Hervé Minoux; Christophe Chipot; David Brown 001; Bernard Maigret (J. Comput. Aided Mol. Des., 2000)

The search for a new model structure of beta-Factor XIIa. - Elsa S. Henriques; Wely B. Floriano; Nathalie Reuter; André Melo; David Brown 001; José A. N. F. Gomes; Bernard Maigret; Marco A. C. Nascimento; Maria João Ramos (J. Comput. Aided Mol. Des., 2001)

A KDD Approach for Designing Filtering Strategies to Improve Virtual Screening. - Leo Ghemtio; Malika Smaïl-Tabbone; Marie-Dominique Devignes; Michel Souchet; Bernard Maigret (KDIR, 2009)

Comparison of Three Preprocessing Filters Efficiency in Virtual Screening: Identification of New Putative LXRβ Regulators As a Test Case. - Leo Ghemtio; Marie-Dominique Devignes; Malika Smaïl-Tabbone; Michel Souchet; Vincent Leroux; Bernard Maigret (J. Chem. Inf. Model., 2010)

GPCRs from fusarium graminearum detection, modeling and virtual screening - the search for new routes to control head blight disease. - Emmanuel Bresso; Roberto C. Togawa; Kim E. Hammond-Kosack; Martin Urban; Bernard Maigret; Natália Florencio Martins (BMC Bioinform., 2016)

Identification of novel Trypanosoma cruzi prolyl oligopeptidase inhibitors by structure-based virtual screening. - Hugo de Almeida; Vincent Leroux; Flávia Nader Motta; Philippe Grellier; Bernard Maigret; Jaime Martins Santana; Izabela Marques Dourado Bastos (J. Comput. Aided Mol. Des., 2016)

Searching in Silico Novel Targets for Specific Coffee Rust Disease Control. - Jonathan D. Lima; Bernard Maigret; Diana Fernandez; Jennifer Decloquement; Danilo Pinho; Erika V. S. Albuquerque; Marcelo O. Rodrigues; Natália Florencio Martins (BSB, 2019)

Singular Interface Dynamics of the SARS-CoV-2 Delta Variant Explained with Contact Perturbation Analysis. - Aria 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 (J. Chem. Inf. Model., 2022)