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They work on different pathways, at different depths, and produce different types of results
Secondly, the NVT (T = 298 K) and NPT (P = 1.0 bar) ensemble equilibration were performed to stabilize the systems through the velocity rescaling thermostat and Berendsen barostat, respectively
It should always be explained through receptor pathways, binding protein biology, molecular structure and marker-based research, not personal-use wording