I will perform docking and molecular dynamic simulations

U
usmanshahid48
U
usmanshahid48
Usman Shahid
perform docking and molecular dynamic simulations
Full Screen
perform docking and molecular dynamic simulations
Full Screen
Full Screen
perform docking and molecular dynamic simulationsperform docking and molecular dynamic simulationsperform docking and molecular dynamic simulations

About this gig

Hi Fiverr, This is Usman. A computational biologist working on drug discovery, protein inhibition, and many other domains. Helped PhD and MPhil students completing their research.

  1. Docking Starter: Docking of 1-2 ligands with target protein + binding affinity and pose visualization. ADMET analysis.
  2. Binding Insight: 5-10 ligands, interaction analysis, binding site mapping, and comparative docking scores. ADMET analysis
  3. Dynamic Discovery Suite: Complete docking + MD simulations (ranging from 10 to 100 ns) with RMSD, RMSF, Rg, and binding stability plots. (Discuss if you have more simulation time needed.)
  4. More services are also available to make your research more impactful, like MMPBSA, MMGBSA, H-bond analysis, etc.
  5. If you want to discuss any research projects that are also available.

  • Tool

    • Python

  • Chart type

    • Comparison
    • Distribution
    • Patterns

Get to know Usman Shahid

Usman Shahid

molecular docking, Molecular dynamic simulations

  • FromPakistan
  • Member sinceDec 2022
  • Avg. response time1 hour

  • Languages

    English
I am a computational biology researcher specializing in structure-based drug discovery and molecular docking. I use AutoDock Vina and PyMOL to perform end-to-end virtual screening pipelines — from target protein preparation to ligand docking, interaction analysis, and drug-likeness evaluation using Lipinski and Veber filters. What you get: Target protein preparation from PDB Molecular docking using AutoDock Vina Virtual screening of compound libraries ADMET & drug-likeness evaluation 10-100ns simulations in AMBER Clean report with results and binding scores.

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