List of works - Iain H Moal

A Markov-chain model description of binding funnels to enhance the ranking of docked solutions

scientific article published on 10 September 2013

A structure-based benchmark for protein-protein binding affinity

scientific article

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

scientific article published on 25 March 2017

Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment

scientific article published on 25 October 2019

Blind prediction of interfacial water positions in CAPRI

scientific article

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

scientific article published on 02 September 2014

Characterizing changes in the rate of protein-protein dissociation upon interface mutation using hotspot energy and organization

scientific article (publication date: 2013)

Comment on ‘protein–protein binding affinity prediction from amino acid sequence’

scientific article published on 17 October 2014

Community-wide assessment of protein-interface modeling suggests improvements to design methodology

scientific article

Community-wide evaluation of methods for predicting the effect of mutations on protein-protein interactions

scientific article

Detection and refinement of encounter complexes for protein-protein docking: taking account of macromolecular crowding

scientific article published on 01 November 2010

Effects of ulapualide A and synthetic macrolide analogues on actin dynamics and gene regulation.

scientific article published on February 2007

Expanding the frontiers of protein-protein modeling: from docking and scoring to binding affinity predictions and other challenges

scientific article published on 17 October 2013

Inferring the microscopic surface energy of protein-protein interfaces from mutation data.

scientific article published on 5 February 2015

Intermolecular Contact Potentials for Protein-Protein Interactions Extracted from Binding Free Energy Changes upon Mutation.

scientific article published on 3 July 2013

Kinetic Rate Constant Prediction Supports the Conformational Selection Mechanism of Protein Binding ⬇️

scientific article published on January 12, 2012

Modeling Protein Conformational Transition Pathways Using Collective Motions and the LASSO Method

scientific article published on 23 February 2017

Prediction of Kunitz ion channel effectors and protease inhibitors from the Ixodes ricinus sialome.

scientific article published on 29 July 2014

Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment

scientific article

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

scientific article

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

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

scientific article published on 01 February 2019

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

scientific article published on August 2012

SwarmDock and the Use of Normal Modes in Protein-Protein Docking ⬇️

scientific article published on September 28, 2010

SwarmDock: a server for flexible protein-protein docking

scientific article published on 23 January 2013

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

scientific article

The structural basis for enhancer-dependent assembly and activation of the AAA transcriptional activator NorR.

scientific article published on 24 November 2014

The structural determinants of macrolide-actin binding: in silico insights.

scientific article published on 9 March 2007

Updates to the Integrated Protein-Protein Interaction Benchmarks: Docking Benchmark Version 5 and Affinity Benchmark Version 2.

scientific article

List of works by Iain H Moal

A Markov-chain model description of binding funnels to enhance the ranking of docked solutions

A structure-based benchmark for protein-protein binding affinity

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

Blind prediction of homo- and hetero-protein complexes: The CASP13-CAPRI experiment

Blind prediction of interfacial water positions in CAPRI

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

Characterizing changes in the rate of protein-protein dissociation upon interface mutation using hotspot energy and organization

Comment on ‘protein–protein binding affinity prediction from amino acid sequence’

Community-wide assessment of protein-interface modeling suggests improvements to design methodology

Community-wide evaluation of methods for predicting the effect of mutations on protein-protein interactions

Detection and refinement of encounter complexes for protein-protein docking: taking account of macromolecular crowding

Effects of ulapualide A and synthetic macrolide analogues on actin dynamics and gene regulation.

Expanding the frontiers of protein-protein modeling: from docking and scoring to binding affinity predictions and other challenges

Inferring the microscopic surface energy of protein-protein interfaces from mutation data.

Intermolecular Contact Potentials for Protein-Protein Interactions Extracted from Binding Free Energy Changes upon Mutation.

Kinetic Rate Constant Prediction Supports the Conformational Selection Mechanism of Protein Binding ⬇️

Modeling Protein Conformational Transition Pathways Using Collective Motions and the LASSO Method

Prediction of Kunitz ion channel effectors and protease inhibitors from the Ixodes ricinus sialome.

Prediction of homoprotein and heteroprotein complexes by protein docking and template-based modeling: A CASP-CAPRI experiment

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

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

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

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

SwarmDock and the Use of Normal Modes in Protein-Protein Docking ⬇️

SwarmDock: a server for flexible protein-protein docking

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

The structural basis for enhancer-dependent assembly and activation of the AAA transcriptional activator NorR.

The structural determinants of macrolide-actin binding: in silico insights.

Updates to the Integrated Protein-Protein Interaction Benchmarks: Docking Benchmark Version 5 and Affinity Benchmark Version 2.