Fadda E - Search Results

1

On the Role of Water Models in Quantifying the Binding Free Energy of Highly Conserved Water Molecules in Proteins: The Case of Concanavalin A.

Fadda E, Woods RJ. Fadda E, et al. J Chem Theory Comput. 2011 Oct 11;7(10):3391-8. doi: 10.1021/ct200404z. Epub 2011 Sep 1. J Chem Theory Comput. 2011. PMID: 26598169

2

Can ChatGPT pass Glycobiology?

Williams DO, Fadda E. Williams DO, et al. Among authors: fadda e. Glycobiology. 2023 Oct 6;33(8):606-614. doi: 10.1093/glycob/cwad064. Glycobiology. 2023. PMID: 37531256

3

Molecular simulations of carbohydrates and protein-carbohydrate interactions: motivation, issues and prospects.

Fadda E, Woods RJ. Fadda E, et al. Drug Discov Today. 2010 Aug;15(15-16):596-609. doi: 10.1016/j.drudis.2010.06.001. Epub 2010 Jun 8. Drug Discov Today. 2010. PMID: 20594934 Free PMC article. Review.

4

Structure and binding analysis of Polyporus squamosus lectin in complex with the Neu5Ac{alpha}2-6Gal{beta}1-4GlcNAc human-type influenza receptor.

Kadirvelraj R, Grant OC, Goldstein IJ, Winter HC, Tateno H, Fadda E, Woods RJ. Kadirvelraj R, et al. Among authors: fadda e. Glycobiology. 2011 Jul;21(7):973-84. doi: 10.1093/glycob/cwr030. Epub 2011 Mar 24. Glycobiology. 2011. PMID: 21436237 Free PMC article.

5

Presentation, presentation, presentation! Molecular-level insight into linker effects on glycan array screening data.

Grant OC, Smith HM, Firsova D, Fadda E, Woods RJ. Grant OC, et al. Among authors: fadda e. Glycobiology. 2014 Jan;24(1):17-25. doi: 10.1093/glycob/cwt083. Epub 2013 Sep 20. Glycobiology. 2014. PMID: 24056723 Free PMC article.

6

Defining the structural origin of the substrate sequence independence of O-GlcNAcase using a combination of molecular docking and dynamics simulation.

Martin JC, Fadda E, Ito K, Woods RJ. Martin JC, et al. Among authors: fadda e. Glycobiology. 2014 Jan;24(1):85-96. doi: 10.1093/glycob/cwt094. Epub 2013 Oct 16. Glycobiology. 2014. PMID: 24134879 Free PMC article.

7

The influence of N-linked glycans on the molecular dynamics of the HIV-1 gp120 V3 loop.

Wood NT, Fadda E, Davis R, Grant OC, Martin JC, Woods RJ, Travers SA. Wood NT, et al. Among authors: fadda e. PLoS One. 2013 Nov 26;8(11):e80301. doi: 10.1371/journal.pone.0080301. eCollection 2013. PLoS One. 2013. PMID: 24303005 Free PMC article.

8

Contribution of the empirical dispersion correction on the conformation of short alanine peptides obtained by gas-phase QM calculations.

Fadda E, Woods RJ. Fadda E, et al. Can J Chem. 2013 Sep 1;91(9):859-865. doi: 10.1139/cjc-2012-0542. Can J Chem. 2013. PMID: 25418993 Free PMC article.

9

Calculating binding free energies for protein-carbohydrate complexes.

Hadden JA, Tessier MB, Fadda E, Woods RJ. Hadden JA, et al. Among authors: fadda e. Methods Mol Biol. 2015;1273:431-65. doi: 10.1007/978-1-4939-2343-4_26. Methods Mol Biol. 2015. PMID: 25753724

10

Conformational determinants for the recruitment of ERCC1 by XPA in the nucleotide excision repair (NER) Pathway: structure and dynamics of the XPA binding motif.

Fadda E. Fadda E. Biophys J. 2013 Jun 4;104(11):2503-11. doi: 10.1016/j.bpj.2013.04.023. Biophys J. 2013. PMID: 23746523 Free PMC article.

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