Published in Journal of Chemical Theory and Computation, 2024
This paper is about an investigation made into the disordered regions of p53 using molecular dynamics and machine learning techniques.
Download here
Published in Physical Chemistry and Chemical Physics, 2022
This paper is about the generation of NMR chemical shifts ab-inito from IDP trajectories using a multiscale approach.
Download here
Published in Concepts in Magnetic Resonance, 2019
This paper discusses a method for creating 3D printed models of NMR data using Mathematica and a 3D printer, which can serve as a helpful teaching tool for students to understand complex information in NMR spectra.
Download here