MMS@FCUL

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1. PypKa PypKa Public

   A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism

   Python 68 13

2. PypKa-MD PypKa-MD Public

   PypKa + MD = constant-pH molecular dynamics

   Python 5 1

3. PyBindE PyBindE Public

   Molecular Mechanics Poisson-Boltzmann Surface Area (MMPBSA) calculations in protein-protein and protein-ligand systems

   Python 11 2

4. pKPDB pKPDB Public

   Download the database content @ https://pkpdb.pypka.org

   Jupyter Notebook 4 1

5. MembIT MembIT Public

   Insertion and thickness analysis of systems with lipid bilayers

   Python 2

6. pKaProfiler pKaProfiler Public

   pKa calculations along an interaction coordinate

   Python 1