G. Zerze

A Deep Learning-Driven Sampling Technique to Explore the Phase Space of an RNA Stem-Loop

This paper adapts a deep learning-driven sampling technique for RNA stem-loop folding, showing it can efficiently explore phase space with lower computational cost than traditional methods.

Optimizing the Martini 3 force field reveals the effects of the intricate balance between protein-water interaction strength and salt concentration on biomolecular condensate formation

This study optimizes the MARTINI 3 force field to better simulate biomolecular condensate formation by adjusting protein-water interactions and salt concentration.

Thermodynamics of DNA Hybridization from Atomistic Simulations

This paper calculates DNA hybridization free energy surfaces and melting temperatures at atomistic resolution using advanced sampling techniques, showing consistency with experimental and nearest neighbor model predictions.

Computational modeling highlights disordered Formin Homology 1 domain’s role in profilin-actin transfer

The paper uses simulations to show FH1 domains facilitate profilin-actin transfer, with flexibility and proximity to FH2 affecting efficiency.