jensengroup/db-enzymes
Database of reaction barriers in proteins with structures
Developer Profile
jensengroup
Discovered public repositories for jensengroup in the GitHub catalog.
jensengroup/molcalc-1.2
MolCalc is a web interface that allows anyone to build molecules and calculate molecular properties.
jensengroup/optimized-protein-structures
Collection of optimized protein structures
jensengroup/prohxms
Simple Protein HXMS prediction frame work with BioPython.
jensengroup/hydrogen-bond-correction-f3
Third-Generation Hydrogen-Bonding Corrections for Semiempirical QM Methods and Force Fields
jensengroup/fragbuilder
fragbuilder is a tool to create, setup and analyze QM calculations on peptides.
jensengroup/MMBcolorfigures
Public repository.
jensengroup/molstat
Molecular Statistics
jensengroup/efmo_example_01
Simple example of using the EFMO method in GAMESS
jensengroup/efmo_example_02
ligand binding optimization
jensengroup/procs-phaistos
ProCS amide proton chemical shift predictor module for Phaistos
jensengroup/camshift-phaistos
PHAISTOS module containing an implementation of the CamShift chemical shift predictor
jensengroup/propka
PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.
jensengroup/propka-3.0
PROPKA predicts the pKa values of ionizable groups in proteins based in the 3D structure.
jensengroup/propka-2.0
PROPKA predicts the pKa values of ionizable groups in proteins based in the 3D structure.
jensengroup/proassign
Bayesian Protein NMR Assignment
jensengroup/procs
A Protein Chemical Shift Predictor
jensengroup/molcalc
MolCalc is a web interface that allows anyone to build molecules and calculate molecular properties online