Gábor Nagy

Combining CHARMM36m with OPC water improves accuracy

This paper assesses the accuracy of different force field combinations for simulating intrinsically disordered proteins and finds that combining C36m with OPC water improves accuracy for IDPs without compromising globular protein simulations.

Transient Non-local Interactions Dominate the Dynamics of Measles Virus NTAIL

The paper identifies transient non-local interactions in measles virus NTAIL that dominate its dynamics and regulate conformational preferences and function.

Hierarchically ordered multi-timescale structural dynamics of the intrinsically disordered p53 transactivation domain

The paper characterizes the multi-timescale structural dynamics of the p53 transactivation domain using NMR and simulations, revealing a hierarchical energy landscape.

Influence of ULK1 activity on the memory of ATG101 auto-activation dynamics

This study investigates how ULK1 activity influences ATG101 auto-activation dynamics, revealing a memory mechanism that accelerates autophagy complex formation.