ligand-binding

There are 0 repository under ligand-binding topic.

protocaller / ProtoCaller
Full automation of relative protein-ligand binding free energy calculations in GROMACS
free-energies gromacs ligand-binding molecular-dynamics-simulation python high-throughput
Language:Python 44
HySonLab / Protein_Redesign
Complex-based Ligand-Binding Proteins Redesign by Equivariant Diffusion-based Generative Models
diffusion-models equivariant-network ligand-binding protein protein-design protein-representation-learning
Language:Python 32
college-of-pharmacy-gachon-university / SMPLIP-Score
Prediction of Absolute Ligand-Protein Binding Affinity
knime-workflow protein protein-pdb-files knime-analytics-platform pdb binding-affinity ichem python scikit-learn astex csar fingerprint smf random-forest deep-neural-networks ligand-binding
Language:Jupyter Notebook 5