Iain H. Moal

Affiliations: 
2011-2015 Barcelona Supercomputing Center, Barcelona, Catalunya, Spain 
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"Iain Moal"
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Publications

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Moal IH, Chaleil RAG, Torchala M, et al. (2020) A Guide for Protein-Protein Docking Using SwarmDock. Methods in Molecular Biology (Clifton, N.J.). 2165: 199-216
Lensink MF, Brysbaert G, Nadzirin N, et al. (2019) Blind prediction of homo- and hetero- protein complexes: The CASP13-CAPRI experiment. Proteins
Perron U, Kozlov AM, Stamatakis A, et al. (2019) Modelling structural constraints on protein evolution via side-chain conformational states. Molecular Biology and Evolution
Jankauskaite J, Jiménez-García B, Dapkunas J, et al. (2019) SKEMPI 2.0: an updated benchmark of changes in protein-protein binding energy, kinetics and thermodynamics upon mutation. Bioinformatics (Oxford, England). 35: 462-469
Moal IH, Chaleil RAG, Bates PA. (2018) Flexible Protein-Protein Docking with SwarmDock. Methods in Molecular Biology (Clifton, N.J.). 1764: 413-428
Barradas-Bautista D, Moal IH, Fernández-Recio J. (2017) A systematic analysis of scoring functions in rigid-body protein docking: The delicate balance between the predictive rate improvement and the risk of overtraining. Proteins. 85: 1287-1297
Hayes TW, Moal IH. (2017) Modeling protein conformational transition pathways using collective motions and the LASSO method. Journal of Chemical Theory and Computation
Moal IH, Barradas-Bautista D, Jiménez-García B, et al. (2017) IRaPPA: Information retrieval based integration of biophysical models for protein assembly selection. Bioinformatics (Oxford, England)
Pallara C, Jiménez-García B, Romero M, et al. (2016) pyDock scoring for the new modeling challenges in docking: Protein-peptide, homo-multimers, and domain-domain interactions. Proteins. 85: 487-496
Lensink MF, Velankar S, Kryshtafovych A, et al. (2016) Prediction of homo- and hetero-protein complexes by protein docking and template-based modeling: a CASP-CAPRI experiment. Proteins
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