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For: Selwa E, Martiny VY, Iorga BI. Molecular docking performance evaluated on the D3R Grand Challenge 2015 drug-like ligand datasets. J Comput Aided Mol Des 2016;30:829-39. [DOI: 10.1007/s10822-016-9983-3] [Cited by in Crossref: 10] [Cited by in F6Publishing: 7] [Article Influence: 1.7] [Reference Citation Analysis]
Number Citing Articles
1 Elisée E, Gapsys V, Mele N, Chaput L, Selwa E, de Groot BL, Iorga BI. Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset. J Comput Aided Mol Des 2019;33:1031-43. [PMID: 31677003 DOI: 10.1007/s10822-019-00232-w] [Cited by in Crossref: 5] [Cited by in F6Publishing: 4] [Article Influence: 1.7] [Reference Citation Analysis]
2 Romero E, Oueslati S, Benchekroun M, D'Hollander ACA, Ventre S, Vijayakumar K, Minard C, Exilie C, Tlili L, Retailleau P, Zavala A, Elisée E, Selwa E, Nguyen LA, Pruvost A, Naas T, Iorga BI, Dodd RH, Cariou K. Azetidinimines as a novel series of non-covalent broad-spectrum inhibitors of β-lactamases with submicromolar activities against carbapenemases KPC-2 (class A), NDM-1 (class B) and OXA-48 (class D). Eur J Med Chem 2021;219:113418. [PMID: 33862516 DOI: 10.1016/j.ejmech.2021.113418] [Cited by in Crossref: 1] [Article Influence: 1.0] [Reference Citation Analysis]
3 Wingert BM, Camacho CJ. Improving small molecule virtual screening strategies for the next generation of therapeutics. Curr Opin Chem Biol 2018;44:87-92. [PMID: 29920436 DOI: 10.1016/j.cbpa.2018.06.006] [Cited by in Crossref: 18] [Cited by in F6Publishing: 16] [Article Influence: 4.5] [Reference Citation Analysis]
4 Selwa E, Elisée E, Zavala A, Iorga BI. Blinded evaluation of farnesoid X receptor (FXR) ligands binding using molecular docking and free energy calculations. J Comput Aided Mol Des 2018;32:273-86. [DOI: 10.1007/s10822-017-0054-1] [Cited by in Crossref: 9] [Cited by in F6Publishing: 7] [Article Influence: 1.8] [Reference Citation Analysis]
5 Kadukova M, Grudinin S. Docking of small molecules to farnesoid X receptors using AutoDock Vina with the Convex-PL potential: lessons learned from D3R Grand Challenge 2. J Comput Aided Mol Des 2018;32:151-62. [DOI: 10.1007/s10822-017-0062-1] [Cited by in Crossref: 11] [Cited by in F6Publishing: 9] [Article Influence: 2.2] [Reference Citation Analysis]
6 Chaput L, Selwa E, Elisée E, Iorga BI. Blinded evaluation of cathepsin S inhibitors from the D3RGC3 dataset using molecular docking and free energy calculations. J Comput Aided Mol Des 2019;33:93-103. [DOI: 10.1007/s10822-018-0161-7] [Cited by in Crossref: 7] [Cited by in F6Publishing: 7] [Article Influence: 1.8] [Reference Citation Analysis]
7 Benchekroun M, Ermolenko L, Tran MQ, Vagneux A, Nedev H, Delehouzé C, Souab M, Baratte B, Josselin B, Iorga BI, Ruchaud S, Bach S, Al-mourabit A. Discovery of simplified benzazole fragments derived from the marine benzosceptrin B as necroptosis inhibitors involving the receptor interacting protein Kinase-1. European Journal of Medicinal Chemistry 2020;201:112337. [DOI: 10.1016/j.ejmech.2020.112337] [Cited by in Crossref: 2] [Cited by in F6Publishing: 2] [Article Influence: 1.0] [Reference Citation Analysis]