Averages and standard deviations (SD) of accessible surface area of the catalytic iron as well as the total active site volume for the simulations of PAH<sub>nat</sub> and PAH<sub>ox</sub>.
收藏NIAID Data Ecosystem2026-03-07 收录
数据链接：
官方服务：
资源简介：
REMD simulations confirm the reduction in both measures for PAHox in comparison to PAHnat for an average over 16 simulations over 100 ns compare to a single observation in a 200 ns standard MD run.
创建时间：
2012-12-31
