Exploring the interplay between experimental methods and the performance of predictors of binding affinity change upon mutations in protein complexes
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dMM-PBSA: a new HADDOCK scoring function for protein-peptide docking
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Prediction and validation of protein intermediate states from structurally rich ensembles and coarse-grained simulations
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Challenges of docking in large, flexible and promiscuous binding sites
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The Differential Response of Proteins to Macromolecular Crowding
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pyPcazip: A PCA-based toolkit for compression and analysis of molecular simulation data
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