Arghadwip Paul

Thermodynamics and kinetics of the amyloid-β peptide revealed by Markov state models based on MD data in agreement with experiment

Arghadwip Paul, Suman Samantray, Marco Anteghini et al. · Chemical Science · 2021 · 62 citations · Full text

Biophysical Modeling, Engineering, Amyloid-β Peptide +22

Molecular Dynamics Simulations of Protein Aggregation: Protocols for Simulation Setup and Analysis with Markov State Models and Transition Networks

Suman Samantray, Wibke Schumann, Alexander-Maurice Illig et al. · Methods in molecular biology · 2022 · 32 citations

Engineering, Protein Aggregation, Protein Folding +13

Molecular dynamics simulations of protein aggregation: protocols for simulation setup and analysis with Markov state models and transition networks

Suman Samantray, Wibke Schumann, Alexander-Maurice Illig et al. · 2020 · 10 citations · Full text

Data-driven classification of elementary rearrangement events in silica glass

Franz Bamer, Somar Shekh Alshabab, Arghadwip Paul et al. · Scripta Materialia · 2021 · 10 citations