lillgroup's repositories
ester-prediction
Computational Prediction of De-Esterification by Human Carboxylesterases 1 and 2
Language:PythonGPL-3.0000
GaMD-OpenMM
Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calculations of biomolecules. It works by adding a harmonic boost potential to smooth the potential energy surface and reduce system energy barriers. http://miao.compbio.ku.edu/GaMD/
MIT000
tl-docker
ThinLinc Server in a Docker
000