You will get Molecular Docking, MD Simulations, and DFT.

Let a pro handle the details

Buy Data Modeling services from Rahul, priced and ready to go.

You will get Molecular Docking, MD Simulations, and DFT.

Let a pro handle the details

Buy Data Modeling services from Rahul, priced and ready to go.

Project details

Hello!
I'm a PhD scholar in Computational Chemistry, specializing in computer-aided drug design. My expertise lies in protein-ligand complex docking and molecular dynamic simulation, I hold a Master's degree in Bioinformatics with a specialization in Computer Aided-Drug Design, Chemo-informatics, and NGS data analysis.

For docking, MD simulations, DFT calculations, data analysis, and visualization, I use the following programs and tools:

1. Docking
•AutoDock
•AutoDock Vina
•VMD
•Discovery Studio (DS)
•Chimera
•Chimera-X
•PyMol
•admetSAR (server)
•Swissdock (server)

2. Molecular Dynamic simulations (up to 100 ns)
•GROMACS
•Protein simulation
•Protein-drug simulation
•Protein-peptide simulation

3. DFT & MD simulation analysis:
•DFT calculations
•HOMO, LUMO
•RMSD
•RMSF
•Protein-Ligand Contacts
•Hydrogen Bonding
•Radius of Gyration
•Solvent Accessible Surface Area (SASA)
•Principal Component Analysis (PCA)
•MMPBSA
•GMGBSA

4. MD simulation move
• Pharmacophore-based Virtual Screening
• Ligand-based Virtual screening
• Structure-based virtual screening
• Complex-based virtual screening


Thank You.
What's included
Service Tiers Starter
$10
Standard
$20
Advanced
$50
Delivery Time 2 days 5 days 10 days
Number of Revisions
233
Number of Graphs/Charts
0
Model Documentation
-
Data Source Connectivity
Model Validation/Testing
-
-
-
Optional add-ons You can add these on the next page.
Additional Revision
+$2
Rahul S.

About Rahul

Rahul S.
Data analyst | Content Writer | Bioinformatician | Graphic Designer
Siliguri, India - 1:57 am local time
I am a highly motivated and detail-oriented professional with expertise in Computational Chemistry, Biological Data Analysis, Graphic Design, and Content Writing.

My skills encompass- Molecular Docking, MD Simulation, Density Functional Theory, Combinatorial Chemistry, NGS Data Analysis, Data Visualization, R-programming, Python, Microsoft Excel, Content Creation, and Graphic Design. I am committed to delivering comprehensive solutions and leveraging diverse skills to drive excellence across analytical, creative, and technical domains.

Steps for completing your project

After purchasing the project, send requirements so Rahul can start the project.

Delivery time starts when Rahul receives requirements from you.

Rahul works on your project following the steps below.

Revisions may occur after the delivery date.

Molecular Docking

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