Vangone, Anna

Updates to the integrated protein-protein interaction benchmarks: docking benchmark version 5 and affinity benchmark version 2

Vreven, T., Moal, I. H., Vangone, A., Pierce, B. G., Kastritis, P. L., Torchala, M., Chaleil, R., Jiménez-García, B., Bates, P. A., Fernandez-Recio, J., et al. (2015) · Journal of Molecular Biology

Protein Structure and DynamicsComputational Drug Discovery Methods

Cited by 424

iSEE: Interface structure, evolution, and energy-based machine learning predictor of binding affinity changes upon mutations

Geng, C., Vangone, A., Folkers, G. E., Xue, L. C., & Bonvin, A. M. J. J. (2019) · Proteins: Structure, Function, and Bioinformatics

Protein Structure and DynamicsMachine Learning in Bioinformatics

Cited by 82

Exploring the interplay between experimental methods and the performance of predictors of binding affinity change upon mutations in protein complexes

Geng, C., Vangone, A., & Bonvin, A. M. J. J. (2016) · Protein Engineering Design and Selection

Protein Structure and DynamicsComputational Drug Discovery Methods

Cited by 28

The prospects of Monte Carlo antibody loop modelling on a fault-tolerant quantum computer

Allcock, J., Vangone, A., Meyder, A., Adaszewski, S., Strahm, M., Hsieh, C.-Y., & Zhang, S. (2022) · Frontiers in Drug Discovery

Quantum Computing Algorithms and ArchitectureComputational Drug Discovery Methods

Cited by 12