OpenPharmacophore
0
Examples
Examples
Ligand-receptor pharmacophore
Er-alpha
Pharmacophore of the protein-ligand complex of estrogen receptor with estradiol.
Obtaining the pharmacophore
Human Rhinovirus Serotype
Load and visualize protein-ligand complexes
Extracting ligands
Preparing proteins
Obtaining binding sites
Extracting pharmacophores
Finding a common pharmacophore
Ligand-based pharmacophore
Ligand preparation for pharmacophore extraction
Thrombin ligands for pharmacophore extraction
Analyizing chem feats
Finding common pharmacophores
Visualizing the pharmacophores
Dynamic pharmacophore
Protein-ligand complex pharmacophore
Virtual Screening
Virtual Screening with a pharmacophore
Others
Binding site of a protein-ligand complex
PDB 3BBH
PDB 1M7W
Aromatic interactions
Hydrogen bonding in protein-ligand complexes
Hydrophobic interactions
API Documentation
API Documentation
Molecular Systems
openpharmacophore.Protein
openpharmacophore.Ligand
openpharmacophore.ComplexBindingSite
Pharmacophores
openpharmacophore.PharmacophoricPoint
openpharmacophore.Pharmacophore
openpharmacophore.LigandBasedPharmacophore
openpharmacophore.LigandReceptorPharmacophore
Visualization
openpharmacophore.Viewer
openpharmacophore.draw_ligands
openpharmacophore.draw_ligands_chem_feats
File IO
openpharmacophore.io.pharmacophore_reader.read_mol2
openpharmacophore.io.pharmacophore_reader.read_ph4
openpharmacophore.io.pharmacophore_reader.read_json
openpharmacophore.io.pharmacophore_reader.read_ligandscout
openpharmacophore.io.pharmacophore_writer.save_mol2
openpharmacophore.io.pharmacophore_writer.save_ph4
openpharmacophore.io.pharmacophore_writer.save_json
openpharmacophore.io.pharmacophore_writer.save_pml
openpharmacophore.io.mol_files.read_mol2
openpharmacophore.io.mol_files.mol2_supplier
openpharmacophore.io.mol_files.read_sdf
Virtual Screening
openpharmacophore.VirtualScreening
openpharmacophore.screening.mol_db.InMemoryMolDB
openpharmacophore.screening.mol_db.MolDB
Others
openpharmacophore.load
openpharmacophore.load_ligands
openpharmacophore.smiles_from_pdb_id
OpenPharmacophore
Examples
Ligand-receptor pharmacophore
Ligand-receptor pharmacophore
Er-alpha
Human Rhinovirus Serotype
