I will professional molecular docking and cadd for drug discovery

Welcome to your professional CADD & Computational Biology solution!

Are you looking for an experienced researcher to perform reliable in silico drug design, molecular docking, or advanced molecular dynamics simulations for your academic papers or biotech projects? You are in the right place.

With solid hands-on experience in bioinformatics workflows, I deliver high-quality, publication-ready data and comprehensive structural analysis.

Services I Offer:

• Target & Ligand Preparation: Structure retrieval from PDB, cleaning, and preparation of receptor/ligand files.
• Active Site Prediction: Advanced binding pocket identification using optimized tools like P2RANK.
• Molecular Docking: High-accuracy virtual screening and binding affinity calculations using AutoDock Vina.
• Interaction Profiling: Detailed 2D and 3D interaction mapping (Hydrogen bonds, hydrophobic interactions) via PLIP.
• Molecular Dynamics (MD) Simulations: Production runs executed via GROMACS on a native Linux environment to assess thermodynamic complex stability (RMSD, RMSF, Rg, H-bonds analysis).
• ADMET & Drug-Likeness: Full pharmacokinetics, toxicity profiling, and Lipinskis Rule of Five assessment using SwissADME and ADMETla