I will run molecular docking, and molecular dynamics simulations

psren

India

I speak Tamil, English, Telugu

Computational Chemist DFT Calculations and Molecular Dynamics

I am a computational chemistry researcher with experience in Density Functional Theory (DFT) calculations, molecular modeling, and Molecular Dynamics (MD) simulations. My research interests include el...
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About this Gig

I provide professional Molecular Dynamics (MD) simulation services using GROMACS for computational biology, drug discovery, and protein-ligand interaction studies. My focus is on understanding protein stability, molecular interactions, and structural dynamics through reliable computational workflows and scientific analysis.


My Services Include

  1. MD Simulation Setup: Protein and protein-ligand system preparation, force-field selection, solvation, ion addition, energy minimization, and equilibration.
  2. Molecular Dynamics Simulation: Production MD simulations for investigating protein stability, conformational changes, and protein-ligand interactions.
  3. Trajectory Analysis: RMSD, RMSF, radius of gyration (Rg), solvent-accessible surface area (SASA), hydrogen bond analysis, and structural stability assessment.
  4. Scientific Reporting: Publication-quality plots, molecular visualization, result interpretation, and organized computational data.


Tools and Software

GROMACS, PyMOL, UCSF Chimera, and related molecular analysis tools, depending on project requirements.

Deliverables

  • MD trajectory analysis plots and figures
  • Structural and interaction analysis and Report


Message me before ordering.

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run molecular docking, and molecular dynamics simulations
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run molecular docking, and molecular dynamics simulations

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