Sadiq et al. [17] simulated the early stages of release process of inhibitors by all-atom MD simulations and found that there is a lateral escaping tendency of inhibitors assisted by mutations of the PR.
All analytical results are compared to representative volume element simulations, and found to match very well.
We tested our design results against column simulations and found them to be in good agreement.
The researchers also added common visual imperfections to their simulations and found that when it comes to judging focus, flaws are actually a good thing.
We carried out molecular statics simulations and found the results to be in good agreement with our theory.
We have carried out matching K-B.K.Z. Wagner numerical simulations and found that reasonable consistency can be achieved for certain polymers.
A free energy surface describing the interaction is calculated using molecular dynamics simulations, and found to be inconsistent with a mechanism in which portal rotation drives DNA import.
We evaluated the performance of CoCA through extensive simulations and found that CoCA outperforms existing well-known channel assignment protocols for WMNs.
