DNA Molecular Dynamics Simulation Service

For decades, people have known that DNA has extremely high flexibility and polymorphism, but our understanding of its accessible conformational space is still limited. The DNA structural data, mostly from X-ray diffraction research, is sparse, and the experimental inspection of direct experiments on DNA flexibility is still subject to many restrictions. Molecular dynamics can overcome these gaps and has become a vital tool to study DNA. It provides detailed structural and dynamic insights, which illustrates its recent transition from a small number of highly specialized laboratories to various teams dealing with challenging biological problems.

DNA MD.Figure 1. DNA molecular dynamics simulation. (Alberto Pérez.; et al, 2012)

Our simulation services

Project name DNA molecular dynamics simulation service
Samples requirement The initial structure of the DNA, PDB ID, etc.
Timeline Depends on the time you need to simulate.
Deliverables We provide you with raw data and calculation result analysis service.
Price Inquiry

CD ComputaBio offers DNA molecular dynamics simulation services

  • Molecular dynamics simulation of DNA-nanoparticle self-assembly.
  • Molecular dynamics simulation of DNA double helix.
  • Molecular dynamics simulation of DNA molecules in micro-nano channels.

DNA molecular dynamics simulation service 1


  • Support various force fields, such as CHARMM, AMBER and OPLS.
  • Periodic boundary conditions.
  • Energy minimization based on steepest descent and conjugate gradient.
  • Manipulating molecular dynamics.
  • Visualization program for displaying, animating and analyzing biomolecular systems.

Our advantage

  • Mature and reliable molecular simulation platform: rich project experience, participate in major projects and release advanced cooperation results.
  • Based on high-quality data analysis, the analysis contents and methods of pre-research and verification are indeed mature and feasible.

Our molecular dynamics simulation services

DNA molecular dynamics simulation service 2

CD ComputaBio offers a corresponding DNA molecular dynamics simulation service. Our molecular dynamics simulations provide accurate approximations of real molecular behaviors, and have proven to be very useful in understanding the biochemical basis of physiological events at different stages of drug development, even in different fields such as materials science. Our team of experts can provide up to one millisecond of simulation time for the system you choose, so you do not have to worry about technical issues. We can also analyze these results for you. The CD ComputaBio team has been working in this field for more than ten years and has published his findings in top scientific journals.

* For Research Use Only.