MMS@FCUL (@mms-fcul)
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Top repositories

1

PypKa

A python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism
Python
51
star
2

PyBindE

Molecular Mechanics Poisson-Boltzmann Surface Area (MMPBSA) calculations in protein-protein and protein-ligand systems
Python
9
star
3

PypKa-MD

PypKa + MD = constant-pH molecular dynamics
Python
3
star
4

pKPDB

Download the database content @ https://pkpdb.pypka.org
Jupyter Notebook
2
star
5

MembIT

Insertion and thickness analysis of systems with lipid bilayers
Python
1
star