I will do machine learning, docking and molecular dynamics
Level 2
Has met high performance criteria and has a proven track record for meeting client expectations.
About this Gig
Basic
Machine Learning
Generation of ligand activity data from ChEMBL/PubChem
(max 3 bioassays, max 1K ligands)
Traditional Machine Learning Models (Random Forest, logistic regression, gradient boosting, etc.)
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Standard
Basic +
ADMET +
Molecular Docking
Target selection
3D structure refinement
AutoDock Vina docking (blind docking)
(max 100 ligands)
Binding scores, sorted list
Professional figures (top three hits, docking pose)
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Premium
Standard +
Deep Learning Neural Network +
Binding site prediction
Homology Modeling
Site-specific Molecular Docking
(max 1000 ligands)
2D protein-ligand interactions
Professional figures (top three hits, docking pose, interactions)
+
Molecular Dynamics Simulations (Gromacs)
Three complexes, Two replicates of each
Max 100K atoms (each system)
Input generation, Minimization, NVT equilibration, NPT equilibration, Productions runs
RMSD, RMSF, Radius of Gyrate, H-bond, SASA
Binding Free Energy (MM-PBSA/MM-GBSA)
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Please ask for further details if needed before ordering.
Programming language:
Python
•
R
Technology:
Excel
Expertise:
Algorithms
•
Prediction
•
Probability
•
Regression testing
Tools:
Other
1 reviews for this Gig
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Rating Breakdown
- Seller communication level
- Quality of delivery
- Value of delivery
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Z zonera0167

United Kingdom
A talented Fiver star .I highly recommended.Close your eyes and place your order with out
Up to $50
Price
3 days
Duration
D 
Seller's Response
Helpful?
1 reviews for this Gig
| (1) | ||
| (0) | ||
| (0) | ||
| (0) | ||
| (0) |
Rating Breakdown
- Seller communication level
- Quality of delivery
- Value of delivery
Sort By
Z zonera0167

United Kingdom
A talented Fiver star .I highly recommended.Close your eyes and place your order with out
Up to $50
Price
3 days
Duration
D 
Seller's Response
Helpful?

