G. Goel

Free energy surface and molecular characterization of slow structural transitions in lipid bilayers

The paper develops a multi-scale model to study structural transitions in lipid bilayers using Langevin dynamics and MD simulations, identifying molecular determinants of pore formation.

Permutational immune analysis reveals architectural similarities between inflammaging, Down syndrome and autoimmunity

The paper uses permutational analysis to reveal advanced immune aging in Down syndrome and type 1 diabetes.

A linear response theory based method for prediction of large scale protein conformational changes upon ligand binding

This paper introduces a method using linear response theory and normal modes to predict large-scale protein conformational changes upon ligand binding, achieving accurate predictions of final and intermediate structures.

A Multiscale Model for Quantitative Prediction of Insulin Aggregation Nucleation Kinetics

The paper develops a multiscale model to predict insulin aggregation nucleation kinetics using simulation data and identifies rate-limiting steps in the process.