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I will perform molecular docking and in silico drug analysis
About this Gig
I am a Biochemistry researcher with published research experience in computational drug discovery, molecular docking, molecular dynamics simulations, and pharmacokinetic analysis. I provide professional in-silico drug discovery services for researchers, students, and pharmaceutical projects.
Services Offered
Protein Preparation
- Protein structure retrieval from PDB
- Structure cleaning and optimization
- Protein purification
- Active site identification
Ligand Preparation
- Ligand retrieval from PubChem, ChEMBL, or user-provided structures
- Format conversion for docking studies
Molecular Docking
- Protein-ligand docking
- Binding affinity analysis
- Docking pose evaluation
- Identification of key interacting residues
Interaction Analysis
- 2D interaction diagrams
- Hydrogen bond analysis
- Hydrophobic interactions
- Salt bridges and π-interactions
- Publication-quality figures
Software & Tools
- AutoDock
- AutoDock Vina
- Discovery Studio Visualizer
- PyMOL
FAQ
Q: What information do you need to start the project?
A: Please provide the target protein (PDB ID or structure file) and ligand(s) in SDF or PDB format. If you do not have these files, I can guide you.
Q: Which software do you use for molecular docking?
I use AutoDock, AutoDock Vina, Discovery Studio Visualizer, PyMOL, and other standard bioinformatics tools.
Q: Will I receive a detailed report?
A: Yes. All packages include a report containing docking scores, interaction analysis, and visualizations.
Q: Can you help with academic research projects?
Yes. I can assist MSc, MPhil, PhD, and research projects requiring computational drug discovery analysis.
Q: Are the results suitable for publication?
The analyses follow standard computational workflows; however, publication suitability depends on the overall study design and journal requirements.
Q: Do you offer virtual screening of multiple compounds?
Yes. Please contact me before ordering for custom projects involving large compound libraries.
Q: Will my data be kept confidential?
Absolutely. All files, structures, and project details are treated confidentially and are never shared with third parties.
