Molecular docking. ChemSteck Gauss View 5 3D structure Ligand (.stk) Avogadro or GAUSSIAN 09 Minimized 3D ligand (.pdb) Openbabel Minimized 3D ligand.

Molecular docking

ChemSteck Gauss View 5 3D structure Ligand (*.stk) Avogadro or GAUSSIAN 09 Minimized 3D ligand (*.pdb) Openbabel Minimized 3D ligand (*.pdbqt) Protein Data Bank 3D structure protein (*.pdb) Quimera or Jmol or Protein or Preparation module in the Maestro program Free water, H-completed, minimized 3D protein (*.pdb) Openbabel Minimized 3D protein(*.pdbqt) Autodock Autodock Vina Autodock tools Glide Gold Molegro virtual docker Input data Output data

Affinity energies (*.txt) 3D protein-ligand (*.pdbqt) Openbabel 3D protein-ligand (*.pdb) Molegro Molecular Viewer APBS PyMol PDB2PQR server Electrostatic potential surfaces

Molecular docking. ChemSteck Gauss View 5 3D structure Ligand (.stk) Avogadro or GAUSSIAN 09 Minimized 3D ligand (.pdb) Openbabel Minimized 3D ligand.

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Molecular docking. ChemSteck Gauss View 5 3D structure Ligand (*.stk) Avogadro or GAUSSIAN 09 Minimized 3D ligand (*.pdb) Openbabel Minimized 3D ligand.

Presentaciones similares

Presentación del tema: "Molecular docking. ChemSteck Gauss View 5 3D structure Ligand (*.stk) Avogadro or GAUSSIAN 09 Minimized 3D ligand (*.pdb) Openbabel Minimized 3D ligand."— Transcripción de la presentación:

Presentaciones similares

Sobre el proyecto

Feedback

Molecular docking. ChemSteck Gauss View 5 3D structure Ligand (.stk) Avogadro or GAUSSIAN 09 Minimized 3D ligand (.pdb) Openbabel Minimized 3D ligand.

Presentación del tema: "Molecular docking. ChemSteck Gauss View 5 3D structure Ligand (.stk) Avogadro or GAUSSIAN 09 Minimized 3D ligand (.pdb) Openbabel Minimized 3D ligand."— Transcripción de la presentación: