I will do molecular docking, gnina, autodock vina, and pymol interaction analysis

Need precise, publication-ready molecular docking for your research or drug design project? I provide computational chemistry services using AutoDock Vina and GNINA (deep-learning CNN scoring), paired with detailed interaction profiling.

What I Offer:

• Target & Ligand Preparation: Structure repair, charge assignments, protonation at physiological pH, and energy minimization.
• Molecular Docking: Grid box optimization (active site or blind docking) using AutoDock Vina and GNINA for robust affinity predictions (kcal/mol).
• Interaction Profiling: High-resolution 2D maps via BIOVIA Discovery Studio (H-bonds, pi-stacking, salt bridges) and 3D ray-traced visuals in PyMOL.

Deliverables:

• Docked complex files (.pdb, .pdbqt, .sdf)
• Fully editable PyMOL session (.pse)
• High-res 300+ DPI publication-ready figures
• Summary table of binding energies and key residue contacts

Why Me?

• Methodologically rigorous, peer-review-standard workflows
• Deep expertise in computer-aided drug design (CADD)
• Fast turnaround and clear scientific support

Please message me with your target PDB ID and ligand structures before ordering!