惠成功chenggong's repositories
044-ion-count
tools for counting ion permeation
HREX-analysis
Tools and wrapper to analysis hamiltonian replica exchange in K channel
OrcaWrapper
python package to read/write ORCA input/output files
Language:PythonMIT000
Regio--and-stereoselectivity-in-the-CYP450BM3-QMMM
code for my 2020 PCCP paper : Regio- and stereoselectivity in the CYP450BM3-catalyzed hydroxylation of complex terpenoids: a QM/MM study
Sfilter_Cylinder
Potassium Channle Selectivity Filter Counting