I will do homology modelling, molecular docking and MD simulations

Accelerate your research with professional computational drug discovery services. As a PhD Scholar in Structural Bioinformatics, I provide rigorous, publication-ready simulations and analysis tailored to your specific biological targets.

What I offer:

1. Consultation: Discussion regarding possible routes to solve tasks.
2. Detailed methodology: Intricacies of inputs, methods and tools.
3. Homology Modeling: High-quality 3D structure prediction (AlphaFold2/Modeller) with validation (Ramachandran, ERRAT, Verify3D).
4. Molecular Docking: Comprehensive Protein-Ligand, Protein-Protein, and Protein-DNA docking using AutoDock Vina, MoleDock, or HADDOCK.
5. MD Simulations (GROMACS): Advanced simulations of complexes. I provide RMSD, RMSF, Radius of Gyration, H-bond stability, and SASA plots.
6. Binding Energy: Accurate affinity calculations using MMPBSA/GBSA methods.
7. QSAR & ML: Machine Learning models to predict compound activity and toxicity.

Why work with me? I dont just run software; I produce solutions for complex bioinformatics critims.

You will receive:

• High-resolution, 3D visualization images.
• Publication-quality graphs and data tables.
• Detailed methodology reports for your manuscripts.