BenchIDPs: Evaluation of Conformational Preferences Molecular Mechanics and Solvent Interactions of IDPs across popular Force Fields and Water Models
Vishal Kumar, Mrudul Mete, Anupama Sharma, Prathit Chatterjee, U. Deva Priyakumar
This study evaluates the performance of different force fields and water models in simulating intrinsically disordered proteins (IDPs) using structural and dynamical observables.
bioRxiv · Sep 10, 2025 · PreprintBiophysics