Druart K - Search Results

1

The iPPI-DB initiative: a community-centered database of protein-protein interaction modulators.

Torchet R, Druart K, Ruano LC, Moine-Franel A, Borges H, Doppelt-Azeroual O, Brancotte B, Mareuil F, Nilges M, Ménager H, Sperandio O. Torchet R, et al. Among authors: druart k. Bioinformatics. 2021 Apr 9;37(1):89-96. doi: 10.1093/bioinformatics/btaa1091. Bioinformatics. 2021. PMID: 33416858 Free PMC article.

2

InDeep: 3D fully convolutional neural networks to assist in silico drug design on protein-protein interactions.

Mallet V, Checa Ruano L, Moine Franel A, Nilges M, Druart K, Bouvier G, Sperandio O. Mallet V, et al. Among authors: druart k. Bioinformatics. 2022 Feb 7;38(5):1261-1268. doi: 10.1093/bioinformatics/btab849. Bioinformatics. 2022. PMID: 34908131 Free PMC article.

3

Phylogenetic analysis of Harmonin homology domains.

Colcombet-Cazenave B, Druart K, Bonnet C, Petit C, Spérandio O, Guglielmini J, Wolff N. Colcombet-Cazenave B, et al. Among authors: druart k. BMC Bioinformatics. 2021 Apr 14;22(1):190. doi: 10.1186/s12859-021-04116-5. BMC Bioinformatics. 2021. PMID: 33853521 Free PMC article.

4

Sampling of conformational ensemble for virtual screening using molecular dynamics simulations and normal mode analysis.

Moroy G, Sperandio O, Rielland S, Khemka S, Druart K, Goyal D, Perahia D, Miteva MA. Moroy G, et al. Among authors: druart k. Future Med Chem. 2015;7(17):2317-31. doi: 10.4155/fmc.15.150. Epub 2015 Nov 24. Future Med Chem. 2015. PMID: 26599419

5

Protein:Ligand binding free energies: A stringent test for computational protein design.

Druart K, Palmai Z, Omarjee E, Simonson T. Druart K, et al. J Comput Chem. 2016 Feb 5;37(4):404-15. doi: 10.1002/jcc.24230. Epub 2015 Oct 27. J Comput Chem. 2016. PMID: 26503829

6

Physics-Based Computational Protein Design: An Update.

Mignon D, Druart K, Michael E, Opuu V, Polydorides S, Villa F, Gaillard T, Panel N, Archontis G, Simonson T. Mignon D, et al. Among authors: druart k. J Phys Chem A. 2020 Dec 24;124(51):10637-10648. doi: 10.1021/acs.jpca.0c07605. Epub 2020 Nov 10. J Phys Chem A. 2020. PMID: 33170681

7

MinOmics, an Integrative and Immersive Tool for Multi-Omics Analysis.

Maes A, Martinez X, Druart K, Laurent B, Guégan S, Marchand CH, Lemaire SD, Baaden M. Maes A, et al. Among authors: druart k. J Integr Bioinform. 2018 Jun 21;15(2):20180006. doi: 10.1515/jib-2018-0006. J Integr Bioinform. 2018. PMID: 29927748 Free PMC article.

8

Redesigning the stereospecificity of tyrosyl-tRNA synthetase.

Simonson T, Ye-Lehmann S, Palmai Z, Amara N, Wydau-Dematteis S, Bigan E, Druart K, Moch C, Plateau P. Simonson T, et al. Among authors: druart k. Proteins. 2016 Feb;84(2):240-53. doi: 10.1002/prot.24972. Epub 2016 Jan 7. Proteins. 2016. PMID: 26676967

9

A Hybrid Monte Carlo Scheme for Multibackbone Protein Design.

Druart K, Bigot J, Audit E, Simonson T. Druart K, et al. J Chem Theory Comput. 2016 Dec 13;12(12):6035-6048. doi: 10.1021/acs.jctc.6b00421. Epub 2016 Nov 4. J Chem Theory Comput. 2016. PMID: 27775883

10

Proteus and the Design of Ligand Binding Sites.

Polydorides S, Michael E, Mignon D, Druart K, Archontis G, Simonson T. Polydorides S, et al. Among authors: druart k. Methods Mol Biol. 2016;1414:77-97. doi: 10.1007/978-1-4939-3569-7_6. Methods Mol Biol. 2016. PMID: 27094287

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