I will do molecular docking, MD simulations and virtual screening for drug discovery

Need in silico results you can publish? I'm Yassir Boulaamane, PhD in Computational Drug Discovery and Postdoctoral Researcher at Universitat Autònoma de Barcelona, working on AI-driven metabolism prediction with Syngenta. I use these exact methods in my own peer-reviewed papers.

What I offer:

• Protein and ligand preparation, homology modelling
• Molecular docking and protein-ligand interaction analysis
• Structure- and ligand-based virtual screening, drug repurposing, natural products
• MD simulations in GROMACS, AMBER, NAMD or OpenMM, whichever your lab or journal prefers
• Binding free energy (MM-PBSA/GBSA)
• ADMET and toxicity profiling
• Network pharmacology, ML and QSAR models on request

Every order includes:

• Publication-quality figures
• A clear report with methods you can reuse
• All input files and raw results for reproducibility

Message me before ordering with your target and ligands, and I'll confirm scope and timeline or send a custom offer.