Accelerate your drug discovery pipeline with precision computational insights! As an expert in computer-aided drug design (CADD), I provide publication-ready in silico services for researchers, biotechs, and pharmaceutical projects.
What I Offer:
- Molecular Docking: High-precision docking (AutoDock Vina, Autodock4) to evaluate binding affinities and detailed 2D/3D interaction networks.
- Virtual Screening (HTVS): Rapid screening of large chemical libraries (ZINC, PubChem) against target proteins to find novel scaffolds.
- ADMET Profiling: Evaluation of absorption, distribution, metabolism, excretion, toxicity, and Lipinskis rules to filter high-risk compounds.
- Molecular Dynamics (MD) Simulations: Advanced simulations (GROMACS, Amber) to analyze complex stability, MM/PBSA free energy, and trajectories (RMSD/RMSF).
Why Choose Me?
- Publication-Ready Graphics: High-res 3D molecular visualizations (Discovery studio,PyMOL, Chimera).
- Full Reports: Comprehensive methodologies, parameters, and scientific interpretations.
Please message me before ordering to discuss your target structure and project scope!