Gaudreault F - Search Results

1

Exploring rigid-backbone protein docking in biologics discovery: a test using the DARPin scaffold.

Gaudreault F, Baardsnes J, Martynova Y, Dachon A, Hogues H, Corbeil CR, Purisima EO, Arbour M, Sulea T. Gaudreault F, et al. Front Mol Biosci. 2023 Aug 24;10:1253689. doi: 10.3389/fmolb.2023.1253689. eCollection 2023. Front Mol Biosci. 2023. PMID: 37692063 Free PMC article.

2

Solvated interaction energy: from small-molecule to antibody drug design.

Purisima EO, Corbeil CR, Gaudreault F, Wei W, Deprez C, Sulea T. Purisima EO, et al. Among authors: gaudreault f. Front Mol Biosci. 2023 Jun 7;10:1210576. doi: 10.3389/fmolb.2023.1210576. eCollection 2023. Front Mol Biosci. 2023. PMID: 37351549 Free PMC article. Review.

3

Binding pose and affinity prediction in the 2016 D3R Grand Challenge 2 using the Wilma-SIE method.

Hogues H, Sulea T, Gaudreault F, Corbeil CR, Purisima EO. Hogues H, et al. Among authors: gaudreault f. J Comput Aided Mol Des. 2018 Jan;32(1):143-150. doi: 10.1007/s10822-017-0071-0. Epub 2017 Oct 5. J Comput Aided Mol Des. 2018. PMID: 28983727

4

ProPOSE: Direct Exhaustive Protein-Protein Docking with Side Chain Flexibility.

Hogues H, Gaudreault F, Corbeil CR, Deprez C, Sulea T, Purisima EO. Hogues H, et al. Among authors: gaudreault f. J Chem Theory Comput. 2018 Sep 11;14(9):4938-4947. doi: 10.1021/acs.jctc.8b00225. Epub 2018 Aug 28. J Chem Theory Comput. 2018. PMID: 30107730

5

Redesigning an antibody H3 loop by virtual screening of a small library of human germline-derived sequences.

Corbeil CR, Manenda MS, Sulea T, Baardsnes J, Picard MÈ, Hogues H, Gaudreault F, Deprez C, Shi R, Purisima EO. Corbeil CR, et al. Among authors: gaudreault f. Sci Rep. 2021 Nov 1;11(1):21362. doi: 10.1038/s41598-021-00669-w. Sci Rep. 2021. PMID: 34725391 Free PMC article.

6

Antibody mutations favoring pH-dependent binding in solid tumor microenvironments: Insights from large-scale structure-based calculations.

Wei W, Corbeil CR, Gaudreault F, Deprez C, Purisima EO, Sulea T. Wei W, et al. Among authors: gaudreault f. Proteins. 2022 Aug;90(8):1538-1546. doi: 10.1002/prot.26340. Epub 2022 Apr 13. Proteins. 2022. PMID: 35355327

7

Coevolved Canonical Loops Conformations of Single-Domain Antibodies: A Tale of Three Pockets Playing Musical Chairs.

Gaudreault F, Corbeil CR, Purisima EO, Sulea T. Gaudreault F, et al. Front Immunol. 2022 Jun 3;13:884132. doi: 10.3389/fimmu.2022.884132. eCollection 2022. Front Immunol. 2022. PMID: 35720356 Free PMC article.

8

Enhanced antibody-antigen structure prediction from molecular docking using AlphaFold2.

Gaudreault F, Corbeil CR, Sulea T. Gaudreault F, et al. Sci Rep. 2023 Sep 13;13(1):15107. doi: 10.1038/s41598-023-42090-5. Sci Rep. 2023. PMID: 37704686 Free PMC article.

9

Binding symmetry and surface flexibility mediate antibody self-association.

Schrag JD, Picard MÈ, Gaudreault F, Gagnon LP, Baardsnes J, Manenda MS, Sheff J, Deprez C, Baptista C, Hogues H, Kelly JF, Purisima EO, Shi R, Sulea T. Schrag JD, et al. Among authors: gaudreault f. MAbs. 2019 Oct;11(7):1300-1318. doi: 10.1080/19420862.2019.1632114. Epub 2019 Jul 18. MAbs. 2019. PMID: 31318308 Free PMC article.

10

Applications of the NRGsuite and the Molecular Docking Software FlexAID in Computational Drug Discovery and Design.

Morency LP, Gaudreault F, Najmanovich R. Morency LP, et al. Among authors: gaudreault f. Methods Mol Biol. 2018;1762:367-388. doi: 10.1007/978-1-4939-7756-7_18. Methods Mol Biol. 2018. PMID: 29594781

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