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Benzene Dimer: A Good Model for π−π Interactions in Proteins? A Comparison between the Benzene and the Toluene Dimers in the Gas Phase and in an Aqueous Solution

C. Chipot, R. Jaffe, B. Maigret, D. Pearlman, and P. Kollman. Journal of the American Chemical Society, 118 (45): 11217--11224 (January 1996)
DOI: 10.1021/ja961379l

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Dirk Bernard

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Other publications of authors with the same name

Benzene Dimer: A Good Model for π−π Interactions in Proteins? A Comparison between the Benzene and the Toluene Dimers in the Gas Phase and in an Aqueous SolutionC. Chipot, R. Jaffe, B. Maigret, D. Pearlman, and P. Kollman. Journal of the American Chemical Society, 118 (45): 11217--11224 (January 1996)Searching in Silico Novel Targets for Specific Coffee Rust Disease Control.J. Lima, B. Maigret, D. Fernandez, J. Decloquement, D. Pinho, E. Albuquerque, M. Rodrigues, and N. Martins. BSB, volume 11347 of Lecture Notes in Computer Science, page 109-115. Springer, (2019)The search for a new model structure of beta-Factor XIIa.E. Henriques, W. Floriano, N. Reuter, A. Melo, D. Brown, J. Gomes, B. Maigret, M. Nascimento, and M. Ramos. J. Comput. Aided Mol. Des., 15 (4): 309-322 (2001)Combining Pharmacophore Search, Automated Docking, and Molecular Dynamics Simulations as a Novel Strategy for Flexible Docking. Proof of Concept: Docking of Arginine−Glycine−Aspartic Acid-like Compounds into the αvβ3 Binding SiteN. Moitessier, C. Henry, B. Maigret, and Y. Chapleur. Journal of Medicinal Chemistry, 47 (17): 4178-4187 (2004)PMID: 15293990.Comparison of Three Preprocessing Filters Efficiency in Virtual Screening: Identification of New Putative LXRβ Regulators As a Test Case.L. Ghemtio, M. Devignes, M. Smaïl-Tabbone, M. Souchet, V. Leroux, and B. Maigret. Journal of Chemical Information and Modeling, 50 (5): 701-715 (2010)Influence of environment on proton-transfer mechanisms in model triads from theoretical calculations.G. Li, B. Maigret, D. Rinaldi, and M. Ruiz-López. J. Comput. Chem., 19 (15): 1675-1688 (1998)Singular Interface Dynamics of the SARS-CoV-2 Delta Variant Explained with Contact Perturbation Analysis.A. Gheeraert, L. Vuillon, L. Chaloin, O. Moncorgé, T. Very, S. Perez, V. Leroux, I. de Beauchêne, D. Mias-Lucquin, M. Devignes and 2 other author(s). J. Chem. Inf. Model., 62 (12): 3107-3122 (2022)Identification of novel Trypanosoma cruzi prolyl oligopeptidase inhibitors by structure-based virtual screening.H. de Almeida, V. Leroux, F. Motta, P. Grellier, B. Maigret, J. Santana, and I. Bastos. J. Comput. Aided Mol. Des., 30 (12): 1165-1174 (2016)

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Disambiguation of "Maigret, Bernard"