Gabriel Monteiro da Silva

FastConformation provides a user-friendly tool for generating and analyzing protein conformational ensembles using AlphaFold 2, enabling faster and more accessible conformational predictions than traditional methods.

The paper characterizes LPOR isoform properties across six plant species, revealing differences in Chlide affinity, oligomerization, and conformational flexibility, with four mobile regions identified via AlphaFold2.

This study uses Weighted Ensemble simulations to analyze DFG flip mechanisms in Abl1 kinase and shows how compound mutations increase free energy barriers, leading to inhibitor resistance.

This paper uses AlphaFold2 to predict protein conformational populations and mutation effects without a physics engine, achieving over 80% accuracy on two proteins.

The paper identifies two mutations in TEM beta-lactamase that shift drug specificity through salt bridges, validated by simulations and experiments.