H. Flechsig

Atom filtering algorithm and GPU-accelerated calculation of simulation atomic force microscopy images

The paper introduces a GPU-accelerated atom filtering algorithm to improve the efficiency of simulated atomic force microscopy (AFM) image calculations for biomolecular structures.

Predicting the placement of biomolecular structures on AFM substrates based on electrostatic interactions

The paper predicts biomolecular placement on AFM substrates using electrostatic interactions and applies it to HS-AFM observations of specific proteins.

Structural dynamics of E6AP E3 ligase HECT domain and involvement of flexible hinge loop in ubiquitin chain synthesis mechanism

This study uses high-speed atomic force microscopy to demonstrate the structural dynamics of the E6AP HECT domain and shows how hinge loop flexibility affects Ub chain formation.

Simulation atomic force microscopy to predict correlated conformational dynamics in proteins from topographic imaging

This paper demonstrates that simulation AFM can reconstruct 3D protein structures from topographic images to infer conformational dynamics, using a membrane transporter as a proof of principle.

Atomic reconstruction of biomolecular structures from AFM images and quantitative validation of experimental data using simulated AFM scanning

The paper introduces a toolbox for automated biomolecular structure reconstruction from AFM images and validates it using simulated AFM data.

Biomolecular AFM viewer

The paper introduces a software tool that converts biomolecular structures and dynamics into simulated atomic force microscopy visualizations.