Carmen Biancaniello

This paper introduces Martini3-NMR, a framework that integrates NMR data into coarse-grained simulations to improve the accuracy of protein conformational ensembles.

This study introduces NapshiftC, a neural network that uses NMR chemical shifts to improve coarse-grained simulations of intrinsically disordered proteins by incorporating secondary structure.

The paper analyzes how Omicron's spike mutations affect interactions with ACE2 and antibodies using 3D structures, predicting increased transmissibility and mixed antibody effects.