Igor V. Vorobyov

The paper investigates how hERG blockers like nifekalant can increase K+ channel current through an agonism-while-blocking mechanism, potentially explaining their safety profile.

The paper develops structural models of beta-1 and beta-2 adrenergic receptors with beta-blockers using RosettaLigand and MD simulations, identifying structural features and stability but not clearly distinguishing stereospecific drug preferences.

This paper develops a deep learning model to classify and predict electrophysiological responses in cardiac cells across developmental stages using simulated and experimental data.

This paper develops a multiscale computational model to predict cardiotoxicity from drug chemistry to cardiac rhythm, validated using clinical data and showing high predictive accuracy for arrhythmia vulnerability.