Iain H. Moal

13 papers Journal 13
YearRankTypeTitle / Venue / Authors
2024 J jnl
Addressing the antibody germline bias and its effect on language models for improved antibody design.
Bioinform.
Tobias Hegelund Olsen, Iain H. Moal, Charlotte M. Deane
2023 J jnl
Paragraph - antibody paratope prediction using graph neural networks with minimal feature vectors.
Bioinform.
Lewis Chinery, Newton Wahome, Iain H. Moal, Charlotte M. Deane
2019 J jnl
SKEMPI 2.0: an updated benchmark of changes in protein-protein binding energy, kinetics and thermodynamics upon mutation.
Bioinform.
Justina Jankauskaite, Brian Jiménez-García, Justas Dapkunas, Juan Fernández-Recio, Iain H. Moal
2017 J jnl
IRaPPA: information retrieval based integration of biophysical models for protein assembly selection.
Bioinform.
Iain H. Moal, Didier Barradas-Bautista, Brian Jiménez-García, Mieczyslaw Torchala, Arjan van der Velde, Thom Vreven, Zhiping Weng, Paul A. Bates, Juan Fernández-Recio
2015 J jnl
CCharPPI web server: computational characterization of protein-protein interactions from structure.
Bioinform.
Iain H. Moal, Brian Jiménez-García, Juan Fernández-Recio
2015 J jnl
Comment on 'protein-protein binding affinity prediction from amino acid sequence'.
Bioinform.
Iain H. Moal, Juan Fernández-Recio
2013 J jnl
Characterizing Changes in the Rate of Protein-Protein Dissociation upon Interface Mutation Using Hotspot Energy and Organization.
PLoS Comput. Biol.
Rudi Agius, Mieczyslaw Torchala, Iain H. Moal, Juan Fernández-Recio, Paul A. Bates
2013 J jnl
SwarmDock: a server for flexible protein-protein docking.
Bioinform.
Mieczyslaw Torchala, Iain H. Moal, Raphael A. G. Chaleil, Juan Fernández-Recio, Paul A. Bates
2013 J jnl
The scoring of poses in protein-protein docking: current capabilities and future directions.
BMC Bioinform.
Iain H. Moal, Mieczyslaw Torchala, Paul A. Bates, Juan Fernández-Recio
2012 J jnl
Kinetic Rate Constant Prediction Supports the Conformational Selection Mechanism of Protein Binding.
PLoS Comput. Biol.
Iain H. Moal, Paul A. Bates
2012 J jnl
SKEMPI: a Structural Kinetic and Energetic database of Mutant Protein Interactions and its use in empirical models.
Bioinform.
Iain H. Moal, Juan Fernández-Recio
2011 J jnl
Protein-protein binding affinity prediction on a diverse set of structures.
Bioinform.
Iain H. Moal, Rudi Agius, Paul A. Bates
2010 J jnl
Bridging the gaps: atomic simulation of macromolecular environment brings together protein docking, interaction kinetics and the crowding effects.
BMC Bioinform.
Xiaofan F. Li, Iain H. Moal, Paul A. Bates