M. Igaev

Bending-torsional elasticity and energetics of the plus-end microtubule tip

This study uses atomistic simulations to analyze the bending-torsional elasticity and energetics of microtubule tips, revealing viscoelastic dynamics and activation energy barriers post-GTP hydrolysis.

Choice of fluorophore affects dynamic DNA nanostructures

This study shows that fluorophore choice can alter DNA nanostructure dynamics without changing DNA sequences, using experiments, MD simulations, and reaction-diffusion modeling.

Outcomes of the 2019 EMDataResource model challenge: validation of cryo-EM models at near-atomic resolution

The paper evaluates cryo-EM model quality using benchmark maps, showing high accuracy and reproducibility across 13 teams and recommending multiple metrics for model assessment.

Microtubule instability driven by longitudinal and lateral strain propagation

This study uses atomistic simulations to show that GTP hydrolysis in tubulin stores energy as longitudinal strain, leading to entropic destabilization of microtubule lattices.

SESCA: Predicting Circular Dichroism Spectra from Protein Molecular Structures

SESCA predicts circular dichroism spectra from protein structures, outperforming existing methods with 50% smaller average deviation.