H. Grubmueller

A Reference Data Set for Circular Dichroism Spectroscopy Comprised of Validated Intrinsically Disordered Protein Models

The paper provides a reference dataset of validated intrinsically disordered protein models and their CD spectra to assess the accuracy of CD prediction tools.

Inter-subunit coupling enables fast CO2-fixation by reductive carboxylases

This paper investigates the structural and dynamic mechanisms of CO2 fixation by ECRs, revealing inter-subunit coupling that enables fast catalytic activity.

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.

Time-lagged Independent Component Analysis of Random Walks and Protein Dynamics

This paper analyzes tICA projections of molecular dynamics trajectories and random walks to assess their ability to capture protein dynamics and free energy landscapes.

Implementation of a Bayesian Secondary Structure Estimation Method for the SESCA Circular Dichroism Analysis Package

The paper implements and evaluates a Bayesian secondary structure estimation method in the SESCA package, showing reduced uncertainty and improved accuracy for circular dichroism spectra with non-secondary structure contributions.

How Accurate Are Circular Dichroism Based Secondary Structure Estimates?

This study evaluates the accuracy of circular dichroism-based secondary structure estimates by analyzing experimental and synthetic data, identifying key sources of error and improving the SESCA package.

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.