Pavel Kohout

ProtXAI: Explainable AI Reveals Structural Determinants of Protein Dynamics

ProtXAI combines molecular dynamics and explainable AI to identify residue-level determinants of protein conformational changes across diverse systems.

Investigation of Protein Melting Temperature Prediction with Cross-Method Validation on Biophysical Data

The paper evaluates deep learning models for predicting protein melting temperatures using proteomics and biophysics datasets, finding that fine-tuned embeddings improve performance on diverse validation sets.

Investigating the Conformational Flexibility of Staphylokinase Across Multiple Time Scales

This study investigates the conformational flexibility of staphylokinase variants to explain their reduced immunogenicity and altered properties.

Anticipating Protein Evolution with Successor Sequence Predictor

The paper introduces a computational method to predict protein evolution by reconstructing a protein's evolutionary history and suggesting future amino acid substitutions to improve desired properties.