Carsten Kötting

This paper presents a computational method to calculate retinal isomerization in real time, revealing an asymmetric potential energy landscape and branched photocycle that align with experimental data.

The paper predicts high-accuracy vibrational spectra from molecular structures using simulations and evaluates methods for IR-based structure determination.

The paper validates a computational prediction of an antibody mutation that abolishes antigen binding using experimental methods, demonstrating its utility in Alzheimer's disease diagnostics.