An {Efficient|Effective} GaMD Multi-Level EnhancedSampling {Strategy|Technique|Method|Approach|Tactic}: Application to PolarizableForce Fields Simulations of {Large|Big|Huge|Massive|Substantial|Significant} BiologicalSystems
We introduce a novel multi-level enhanced sampling {strategy|technique|method|approach|tactic} grounded on Gaussian accelerated Molecular Dynamics (GaMD). {First|Initial|Very first|1st|Initially}, we propose a GaMD multi-GPUs-accelerated implementation {within the|inside the} Tinker-HP molecular dynamics package.…