protonation

There are 0 repository under protonation topic.

UnixJunkie / dimorphite_dl
Mirror of https://git.durrantlab.pitt.edu/jdurrant/dimorphite_dl/
protonation ph-range
Language:Python 15
sb-ncbr / AlphaCharges
𝛂Charges: A tool for the quick calculation of partial atomic charges for protein structures from AlphaFoldDB
alphafold2 partial-atomic-charges protonation
Language:Python 7
PeptoneLtd / pepkalc
Robust simulation software for the comprehensive evaluation of protein electrostatics in unfolded state.
bioinformatics biophysics electrostatics polymer prediction protein protein-sequence protonation simulation
Language:Python 4
sb-ncbr / FFFold
FFFold: A tool for the quick optimisation of protein structures from AlphaFold DB
alphafold2 protonation gfn-ff force-field-optimisation protein-structure-optimisation
Language:JavaScript 4

UnixJunkie / dimorphite_dl