Peter Michael Kekenes-Huskey

The paper reviews Brownian dynamics modeling of biomolecular binding and its integration with machine learning for predicting in vivo kinetics.

The paper redesigns calmodulin to improve its function while preserving conformational dynamics, showing that structural flexibility is essential for physiological regulation.

This study uses molecular dynamics simulations to show that LQT2 mutations disrupt the selectivity filter structure, impairing channel trafficking, and that some variants can correct these defects.

This study investigates how phosphorylation of ABLIM1's intrinsically disordered regions modulates its interaction with titin, affecting cardiac muscle contraction.

This study uses machine learning and molecular dynamics simulations to predict which KCNH2 variants disrupt Kv11.1 channel trafficking, improving variant classification accuracy by ~10%.

The paper uses a biosensor mouse model to study tissue- and sex-specific inflammation responses to Western diet and butyrate treatment in obesity.

This study identifies a secondary CaM binding site on calcineurin that contributes to its activation through molecular simulations and mutagenesis experiments.

This study uses computational methods to analyze cation binding to SERCA, finding that Ca2+ is preferentially coordinated over Mg2+ and K+ at sites I and II, with Mg2+ acting as an inhibitor and K+ as an intermediate in the reaction cycle.

The paper develops a computational model to simulate P2X-mediated calcium signaling in microglia and quantifies TNF production under various ATP stimulation conditions.