Convert Maestro to PDB format
Creates a Phase 3D Database and conformations
Retrieves PDB structure()s) for the specified PDB code(s).
Search for ligand conformations like those found in ligand-receptor complexes, with optional minimization of output structures.
Convert Smiles, Mol2, SD or PDB to Maestro
PRIME MM-GBSA
The System Builder panel allows you to set up a biological system consisting of proteins, ligands, explicit solvent, membrane, and counter ions, so […]
Replace functional groups on a set of ligands with the corresponding bioisosteres, generating all single replacements.
Carries out a site-finding job
Labels stereochemical features or generates structures based upon the chiral properties of the chiral atoms in the structure.
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