Pinned Repositories
bachelor_thesis_jk
ensembleCOMBINE
gromacs-ramd
Random Acceleration Molecular Dynamics in GROMACS
LigSuperposition
MD-IFP
MD trajectory analysis using protein-ligand Interaction Fingerprints
RASPDplus
Associated code and software for "RASPD+: Fast protein-ligand binding free energy prediction using simplified physicochemical features"
reweight_residue_secstruct
Reweighting of GaMD (Amber)-sampled residue secondary structure propensities of peptides
tauRAMD
Computation of the drug-target relative residence times from RAMD simulations
HITS gGmbH – Molecular and Cellular Modeling's Repositories
HITS-MCM/MD-IFP
MD trajectory analysis using protein-ligand Interaction Fingerprints
HITS-MCM/gromacs-ramd
Random Acceleration Molecular Dynamics in GROMACS
HITS-MCM/tauRAMD
Computation of the drug-target relative residence times from RAMD simulations
HITS-MCM/RASPDplus
Associated code and software for "RASPD+: Fast protein-ligand binding free energy prediction using simplified physicochemical features"
HITS-MCM/ensembleCOMBINE
HITS-MCM/LigSuperposition
HITS-MCM/bachelor_thesis_jk
HITS-MCM/reweight_residue_secstruct
Reweighting of GaMD (Amber)-sampled residue secondary structure propensities of peptides