I will perform molecular docking and virtual screening for drug discovery

U
usmanshahid48
U
usmanshahid48
Usman Shahid
Alcune informazioni sono riportate in lingua inglese.
perform molecular docking and virtual screening for drug discovery
Schermo intero
perform molecular docking and virtual screening for drug discovery
Schermo intero
Schermo intero
perform molecular docking and virtual screening for drug discoveryperform molecular docking and virtual screening for drug discoveryperform molecular docking and virtual screening for drug discovery

Informazioni su questo servizio

Are you a researcher, PhD student, or biotech professional looking to identify potential drug candidates computationally?

I am a computational biology researcher with hands-on experience in structure-based drug discovery. My final year research involved in silico inhibitor discovery for CARDS toxin of Mycoplasma pneumoniae identifying 2 lead compounds from large compound libraries using AutoDock Vina, validated through ADMET and Lipinski/Veber pharmacokinetic filters.

What I offer:

Target protein preparation from PDB

Molecular docking using AutoDock Vina

Virtual screening of compound libraries

ADMET & drug-likeness evaluation (Lipinski, Veber)

Ligand-protein interaction analysis (PyMOL)

Clear, publication-ready report with visualizations

Tools: AutoDock Vina, PyMOL, UCSF Chimera, RCSB PDB, ChEMBL, SwissADME

Message me before ordering to discuss your target protein and project scope.

  • Strumento

    • Python

  • Tipo di grafico

    • Confronto

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Usman Shahid

molecular docking, Ai Driven Drug Discovery,3D models

  • DaPakistan
  • Membro dadic 2022

  • Lingue

    Inglese
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 Ligand-protein interaction visualization (PyMOL) Clean report with results and binding scores.

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