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I will perform molecular docking, admet analysis for drug discovery
Bioinformatics, Scientific Writing and Data Analysis
I am a biologist and PhD candidate with experience in molecular biology, bioinformatics, data analysis, biotechnology R&D, scientific writing, and research support. I help researchers, students, biote...
About this Gig
I help researchers, students, and biotech teams evaluate protein-ligand interactions and prioritize compounds for early-stage drug discovery using molecular docking, ADMET prediction, and scientific interpretation.
I can assist with protein and ligand preparation, docking analysis, binding affinity comparison, 2D/3D interaction visualization, ADMET and drug-likeness evaluation, compound ranking, and a clear technical report.
This service is useful for target-ligand studies, compound prioritization, virtual screening, literature-supported research projects, and preliminary drug discovery analysis.
My background in molecular biology, pharmacology, nanotechnology and biomedical research allows me to provide more than docking scores. I can help explain the biological relevance, limitations, and next steps.
Please contact me before ordering, especially for multiple targets, large compound libraries, molecular dynamics requests, or complex protein systems.
Technology:
Excel
•
Google Sheets
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Jupyter Notebook
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MATLAB
•
Pandas
Expertise:
Statistics
•
Other
Programming language:
Python
•
R
FAQ
What do you need to start?
I need the protein target name or PDB ID, ligand structures or compound names, and a short description of your project goal.
Can you help find the protein structure?
Yes. If you do not have a structure file, I can help identify a suitable PDB structure when available.
What ligand formats can you work with?
I can work with common ligand formats such as SDF, MOL2, PDB, SMILES or compound names, depending on the project.
Do you provide ADMET analysis?
Yes. I can include ADMET prediction, drug-likeness evaluation and compound prioritization depending on the selected package.
Do you perform molecular dynamics simulations?
Molecular dynamics is not included as a standard package. It requires a separate discussion because it depends on system complexity and computational resources.
Can docking prove that a compound works?
No. Molecular docking is an exploratory computational method. It can help prioritize compounds, but experimental validation is always needed.
Do you provide figures for reports or presentations?
Yes. I can provide 2D/3D interaction figures, ranking tables and visual summaries depending on the package.
Can you include biological interpretation?
Yes. I can explain the biological relevance of the target, interactions and compound ranking based on the available data and literature.
Should I contact you before ordering?
Yes. Docking projects vary depending on the protein, ligands and objective, so it is better to review the project before starting.
