Moal IH - Search Results

1

IRaPPA: information retrieval based integration of biophysical models for protein assembly selection.

Moal IH, Barradas-Bautista D, Jiménez-García B, Torchala M, van der Velde A, Vreven T, Weng Z, Bates PA, Fernández-Recio J. Moal IH, et al. Bioinformatics. 2017 Jun 15;33(12):1806-1813. doi: 10.1093/bioinformatics/btx068. Bioinformatics. 2017. PMID: 28200016 Free PMC article.

2

Protein-protein binding affinity prediction on a diverse set of structures.

Moal IH, Agius R, Bates PA. Moal IH, et al. Bioinformatics. 2011 Nov 1;27(21):3002-9. doi: 10.1093/bioinformatics/btr513. Epub 2011 Sep 7. Bioinformatics. 2011. PMID: 21903632

3

SKEMPI: a Structural Kinetic and Energetic database of Mutant Protein Interactions and its use in empirical models.

Moal IH, Fernández-Recio J. Moal IH, et al. Bioinformatics. 2012 Oct 15;28(20):2600-7. doi: 10.1093/bioinformatics/bts489. Epub 2012 Aug 1. Bioinformatics. 2012. PMID: 22859501

4

SwarmDock: a server for flexible protein-protein docking.

Torchala M, Moal IH, Chaleil RA, Fernandez-Recio J, Bates PA. Torchala M, et al. Among authors: moal ih. Bioinformatics. 2013 Mar 15;29(6):807-9. doi: 10.1093/bioinformatics/btt038. Epub 2013 Jan 23. Bioinformatics. 2013. PMID: 23343604

5

The scoring of poses in protein-protein docking: current capabilities and future directions.

Moal IH, Torchala M, Bates PA, Fernández-Recio J. Moal IH, et al. BMC Bioinformatics. 2013 Oct 1;14:286. doi: 10.1186/1471-2105-14-286. BMC Bioinformatics. 2013. PMID: 24079540 Free PMC article.

6

CCharPPI web server: computational characterization of protein-protein interactions from structure.

Moal IH, Jiménez-García B, Fernández-Recio J. Moal IH, et al. Bioinformatics. 2015 Jan 1;31(1):123-5. doi: 10.1093/bioinformatics/btu594. Epub 2014 Sep 2. Bioinformatics. 2015. PMID: 25183488

7

Comment on 'protein-protein binding affinity prediction from amino acid sequence'.

Moal IH, Fernández-Recio J. Moal IH, et al. Bioinformatics. 2015 Feb 15;31(4):614-5. doi: 10.1093/bioinformatics/btu682. Epub 2014 Oct 17. Bioinformatics. 2015. PMID: 25381451 No abstract available.

8

A systematic analysis of scoring functions in rigid-body protein docking: The delicate balance between the predictive rate improvement and the risk of overtraining.

Barradas-Bautista D, Moal IH, Fernández-Recio J. Barradas-Bautista D, et al. Among authors: moal ih. Proteins. 2017 Jul;85(7):1287-1297. doi: 10.1002/prot.25289. Epub 2017 Apr 12. Proteins. 2017. PMID: 28342242

9

Flexible Protein-Protein Docking with SwarmDock.

Moal IH, Chaleil RAG, Bates PA. Moal IH, et al. Methods Mol Biol. 2018;1764:413-428. doi: 10.1007/978-1-4939-7759-8_27. Methods Mol Biol. 2018. PMID: 29605931

10

SKEMPI 2.0: an updated benchmark of changes in protein-protein binding energy, kinetics and thermodynamics upon mutation.

Jankauskaite J, Jiménez-García B, Dapkunas J, Fernández-Recio J, Moal IH. Jankauskaite J, et al. Among authors: moal ih. Bioinformatics. 2019 Feb 1;35(3):462-469. doi: 10.1093/bioinformatics/bty635. Bioinformatics. 2019. PMID: 30020414 Free PMC article.

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