Purisima EO - 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. Among authors: purisima eo. 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. 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

Exhaustive search and solvated interaction energy (SIE) for virtual screening and affinity prediction.

Sulea T, Hogues H, Purisima EO. Sulea T, et al. Among authors: purisima eo. J Comput Aided Mol Des. 2012 May;26(5):617-33. doi: 10.1007/s10822-011-9529-7. Epub 2011 Dec 25. J Comput Aided Mol Des. 2012. PMID: 22198519

4

Protein-ligand binding free energies from exhaustive docking.

Purisima EO, Hogues H. Purisima EO, et al. J Phys Chem B. 2012 Jun 14;116(23):6872-9. doi: 10.1021/jp212646s. Epub 2012 Apr 2. J Phys Chem B. 2012. PMID: 22432509

5

Solvation models: theory and validation.

Purisima EO, Sulea T. Purisima EO, et al. Curr Pharm Des. 2014;20(20):3266-80. doi: 10.2174/13816128113199990599. Curr Pharm Des. 2014. PMID: 23947651 Review.

6

Exhaustive docking and solvated interaction energy scoring: lessons learned from the SAMPL4 challenge.

Hogues H, Sulea T, Purisima EO. Hogues H, et al. Among authors: purisima eo. J Comput Aided Mol Des. 2014 Apr;28(4):417-27. doi: 10.1007/s10822-014-9715-5. Epub 2014 Jan 29. J Comput Aided Mol Des. 2014. PMID: 24474162

7

Evaluation of the Wilma-SIE Virtual Screening Method in Community Structure-Activity Resource 2013 and 2014 Blind Challenges.

Hogues H, Sulea T, Purisima EO. Hogues H, et al. Among authors: purisima eo. J Chem Inf Model. 2016 Jun 27;56(6):955-64. doi: 10.1021/acs.jcim.5b00278. Epub 2015 Aug 24. J Chem Inf Model. 2016. PMID: 26282162

8

Assisted Design of Antibody and Protein Therapeutics (ADAPT).

Vivcharuk V, Baardsnes J, Deprez C, Sulea T, Jaramillo M, Corbeil CR, Mullick A, Magoon J, Marcil A, Durocher Y, O'Connor-McCourt MD, Purisima EO. Vivcharuk V, et al. Among authors: purisima eo. PLoS One. 2017 Jul 27;12(7):e0181490. doi: 10.1371/journal.pone.0181490. eCollection 2017. PLoS One. 2017. PMID: 28750054 Free PMC article.

9

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: purisima eo. 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

10

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: purisima eo. 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

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