AutoDock4.2.6 Part-3 Protein Preparation

KNP's Pharmaceutical Chemistry
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Protein Preparation using AutoDock 4.2.6
Links for Complete AutoDock 4.2.6 Tutorials
Part-1: Installation and Preparing your System • AutoDock4.2.6 Part-1 I...
Part-2: Protein Cleaning • AutoDock4.2.6 Part-2 P...
Part-3: Protein Preparation • AutoDock4.2.6 Part-3 P...
Part-4: Ligand Preparation • AutoDock4.2.6 Part-4 L...
Part-5: Generation of Grid Parameter File (GPF) • AutoDock4.2.6 Part-5 G...
Part-6: Generation of Docking Parameter File (DPF) • AutoDock4.2.6 Part-6 G...
Part-7: Running AutoGrid • AutoDock4.2.6 Part-7 R...
Part-8: Running AutoDock Simulations • AutoDock4.2.6 Part-8 R...
Part-9: Analysing and Interpreting Results • AutoDock4.2.6 Part-9 A...

[@drjagadishdasari2294]

Hi Dr. "swig/python detected a memory leak of type 'BHtree *', no destructor found"............there is an issue while loading molecule in autodock Vina kindly help me out

[@humarafique3093]

my autodocktools software is not being opened, it starts to load and after reaching 7-8% then the software shuts down by itself, i did it 4-5 times but same problem, could you please
help me in this regard?

[@almche8978]

Thank you.if i have (new compounds) and i need know biolohical acyivity against example three kinds of bacteria. here my ligands are unkown .how can select suitable protein from pdb.thank you

[@KNPPharmaceuticalChemistry]

That's a real challenge in Docking. It requires a great literature search or one can choose to dock with multiple proteins in order to find out the best one. This process is called as reverse docking. But all this is possible if the structure of ligands is known.

[@binynb669]

Sir, I have a complaint with my autodocking when I can't save the prepared protein in pdpqt format

[@KNPPharmaceuticalChemistry]

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