John R.D. Dawson

This study identifies a non-canonical activation mechanism of CCR9 by CCL25 through structural modeling and mutational analysis, revealing the 30s loop as the key activation region.

This study identifies molecular determinants of CCR2 and CCR5 antagonist interactions using docking and AI screening, revealing structural principles and selectivity mechanisms.

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