jensengroup/propka
PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
PythonLGPL-2.1
Stargazers
- 0h-n0Kyoto, Japan.
- artemkondyukov
- ccorbi@recursionpharma
- crs17
- deborahharrusEMBL-EBI
- ericchansenUnited States
- esguerra@astrazeneca
- flobosg
- harryjubbCresset Biomolecular Discovery
- hjuinj
- HotOfMonsterUS
- hovo1990
- kangsgoHunan,Changsha
- lagodiuk
- leelasdYale University
- LuthafEPFL
- mbeachyNYC
- mnowotkaBolt
- neksaVantAI
- orbeckstArizona State University
- ostrokachUniversity of Toronto
- platinhomMSU
- robincoreyUniversity of Oxford
- salotz@examol-corp
- ShaneJCaldwellSeattle, WA
- SOA-KunLin
- sobolevnrmMicrosoft
- TheGuyTheDude
- thomas-coudrat
- tianflame
- tonigiCNR
- ToruNiinaRIKEN BDR
- tyuwenPeking University
- ugerlevikMellor Lab, University of Oxford
- xiki-tempula
- ydu-sciJiaxing, Zhejiang province, China