Please tell me what kind of model to build
The Protein in Atomistic detail coupled with Coarse-grained Environment (PACE) force field is a united-atom protein model combined with a coarse-grained explicit solvent representation. It is designed to achieve an optimal balance between computational efficiency and structural accuracy in protein simulations. By retaining atomistic details for proteins while treating the solvent environment in a coarse-grained manner, PACE enables efficient molecular dynamics simulations of proteins in aqueous environments while maintaining high structural fidelity to experimental data.
The PACE Solution Builder is a web-based modeling tool developed to facilitate the construction of protein systems in aqueous solution using the PACE force field. It supports both single-chain and multi-chain protein systems and allows users to apply different capping strategies to individual chains, providing greater flexibility and control during system setup.