propka
pKa predictor
A tool that predicts pKa values of ionizable groups in proteins and protein-ligand complexes based on their 3D structure.
PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
274 stars
19 watching
59 forks
Language: Python
last commit: 10 months ago
Linked from 1 awesome list
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