I will do molecular dynamics MD simulation using gromacs or desmond

Amna Comp
5.0
5.0

Pakistan

I speak Urdu, English

4 orders completed

I am a computational drug discovery researcher with strong expertise in molecular docking, molecular dynamics (MD) simulations, density functional theory (DFT), and Network pathway. I help researchers...
Read More
About this Gig

I provide professional Molecular Dynamics (MD) simulation services using GROMACS and Desmond for academic, industrial, and pharmaceutical research.

Molecular Dynamics simulations help in understanding protein stability, flexibility, conformational changes, and protein ligand interactions at the atomic level. If you are working on drug discovery, enzyme studies, or biomolecular systems, this gig will deliver accurate, reproducible, and publication-ready results.

I have hands-on experience in protein ligand complexes, apo/holo proteins, and small molecules, ensuring correct system preparation, force-field selection, and detailed analysis.


SOFTWARE & TOOLS

GROMACS

Desmond (Schrödinger)



ANALYSIS INCLUDED

RMSD

RMSF

Radius of Gyration (Rg)

Hydrogen bond analysis

SASA

PCA

MMGBSA

Read More
do molecular dynamics MD simulation using gromacs or desmond
Full Screen
do molecular dynamics MD simulation using gromacs or desmond
Full Screen
View Presentation
do molecular dynamics MD simulation using gromacs or desmonddo molecular dynamics MD simulation using gromacs or desmonddo molecular dynamics MD simulation using gromacs or desmond

Technology:

Other

Analysis type:

Quantitative analysis

•

Qualitative analysis

Expertise:

Web analytics

•

Statistics

Programming language:

Python

•

R

Reviews

1 reviews for this Gig
5.0

(1)
(0)
(0)
(0)
(0)
Rating Breakdown
  • Seller communication level
    5
  • Quality of delivery
    5
  • Value of delivery
    5
Sort By
Most relevant
  • O
    image-docs

    osamakhalid010

    PK

    Pakistan

    5

    It was a pleasure working with Amna. She performed the simulation exactly as required and delivered the work ahead of time with excellent accuracy. I worked with her on MD simulations, and she executed them exceptionally well. She also provided the results in a highly professional manner and in high definition, making them easy to use and present.

    Up to $50

    Price

    5 days

    Duration

    Helpful?
    Yes
    No
Reviews

1 reviews for this Gig
5.0

(1)
(0)
(0)
(0)
(0)
Rating Breakdown
  • Seller communication level
    5
  • Quality of delivery
    5
  • Value of delivery
    5
Sort By
Most relevant
  • O
    image-docs

    osamakhalid010

    PK

    Pakistan

    5

    It was a pleasure working with Amna. She performed the simulation exactly as required and delivered the work ahead of time with excellent accuracy. I worked with her on MD simulations, and she executed them exceptionally well. She also provided the results in a highly professional manner and in high definition, making them easy to use and present.

    Up to $50

    Price

    5 days

    Duration

    Helpful?
    Yes
    No

Related tags