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Lydia Kavraki

Markov State Modeling Reveals Alternative Unbinding Pathways for Peptide-MHC Complexes
Structural modelling and molecular dynamics of the immune checkpoint molecule HLA-G
Large-Scale Structure-Based Prediction of Stable Peptide Binding to Class I HLAs Using Random Forests
HLA-Arena: A Customizable Environment for the Structural Modeling and Analysis of Peptide-HLA Complexes for Cancer Immunotherapy
APE-Gen: A Fast Method for Generating Ensembles of Bound Peptide-MHC Conformations
Structure-based Methods for Binding Mode and Binding Affinity Prediction for Peptide-MHC Complexes
Quantitative Comparison of Adaptive Sampling Methods for Protein Dynamics
Native state of complement protein C3d analysed via hydrogen exchange and conformational sampling
Maintaining and Enhancing Diversity of Sampled Protein Conformations in Robotics-Inspired Methods

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