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I will do homology modelling, molecular docking and MD simulations
Structural Bioinformatics
PhD Scholar specializing in Structural Bioinformatics and AI-driven drug discovery. I can provide publication-ready research solutions using industry-standard protocols.
Expertise:
1. MD Simulations...
About this Gig
Accelerate your research with professional computational drug discovery services. As a PhD Scholar in Structural Bioinformatics, I provide rigorous, publication-ready simulations and analysis tailored to your specific biological targets.
What I offer:
- Consultation: Discussion regarding possible routes to solve tasks.
- Detailed methodology: Intricacies of inputs, methods and tools.
- Homology Modeling: High-quality 3D structure prediction (AlphaFold2/Modeller) with validation (Ramachandran, ERRAT, Verify3D).
- Molecular Docking: Comprehensive Protein-Ligand, Protein-Protein, and Protein-DNA docking using AutoDock Vina, MoleDock, or HADDOCK.
- MD Simulations (GROMACS): Advanced simulations of complexes. I provide RMSD, RMSF, Radius of Gyration, H-bond stability, and SASA plots.
- Binding Energy: Accurate affinity calculations using MMPBSA/GBSA methods.
- QSAR & ML: Machine Learning models to predict compound activity and toxicity.
Why work with me? I dont just run software; I produce solutions for complex bioinformatics critims.
You will receive:
- High-resolution, 3D visualization images.
- Publication-quality graphs and data tables.
- Detailed methodology reports for your manuscripts.
Domain:
Machine Learning
•
Other
Expertise:
Predictive analysis
Programming language:
Python
Tools:
Jupyter Notebook
•
Excel
•
Other
Technology:
Python
•
Colab
•
Excel
•
Other
Models & methods:
Machine Learning
•
Supervised learning
•
Other
