Table 1. Summary of Simulations Considered in This Study.
Notation | Membrane Composition | Simulation Time (μs)a | Computational Method |
---|---|---|---|
Fus4 | COMPLEX Virus like | 0.96 | Classical MD |
Lin3 | 0.95 | Flooding | |
Fus4 | 1.35 | Parallel Tempering Metadynamics | |
Lin3 | 1.48 | ||
S65YCMFus4 + TM | 3 × 1.0 | Classical MD | |
S65YCMLin3 + TM | 3 × 1.0 |
TOTAL Simulation Time: ∼ 10 μs.