Technical Deep Dive

Get expert, hands-on support for your computational drug discovery project.

What This Covers:

✓ Molecular docking setup and optimization (AutoDock Vina, Schrödinger)

✓ MD simulation troubleshooting (GROMACS, Amber, Desmond)

✓ Binding affinity calculations and analysis

✓ Pipeline automation and workflow optimization

✓ Results interpretation and visualization

✓ Manuscript/thesis figure preparation

Technical Areas:

- Virtual screening workflows

- RMSD/RMSF analysis and trajectory interpretation

- Free energy calculations (MM-PBSA, LIE, GIST)

- Protein-ligand complex preparation

- HPC and Linux environment setup

Who Should Book:

- Researchers actively working on computational projects

- Students preparing thesis/dissertation work

- Anyone stuck on specific technical challenges

What to Bring:

- Your project files (PDB, trajectory files, scripts)

- Specific error messages or challenges

- Clear objectives for the session

This is a working session, we'll debug, optimize, and solve problems together in real-time.