RNA Molecular Dynamics Simulation Service

Since 1984, the molecular dynamics simulation method was first applied to study the dynamic characteristics of yeast alanine transport RNA. Today, molecular dynamics is increasingly important and has become indispensable in studying RNA molecules' folding mechanism, dynamic properties, and thermal stability. It can elucidate the relevant structure and dynamic characteristics of RNA in detail at the molecular and atomic levels.

Our services process

RNA molecular dynamics simulation service

Selecting the proper molecular force field parameters and the solvent model is crucial in molecular dynamics simulation: AMBER molecular force field has far-reaching applications in RNA molecular dynamics simulation among many molecular force fields. In terms of solvent models, the parameters of various solvent models have also been continuously improved over the years. Currently, the GB model for hidden water and the TIP3P model for apparent water are usually used for molecular dynamics simulations of RNA. Since the development of molecular force fields and solvent models are mostly independent of each other, the combination of the latest force field parameters and the latest solvent model parameters does not necessarily provide the most reasonable results for RNA molecular dynamics simulations. In RNA molecular dynamics simulation, it is very important to study the matching combination of different force field parameters and solvent models. CD ComputaBio can provide you with customized RNA molecular dynamics simulation services to meet your needs.

Our simulation services

Project name RNA molecular dynamics simulation service
Samples requirement The initial structure of the RNA, 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

Our advantages

  • We have cooperated with many universities or research institutions, and can consult the opinions and suggestions of industry experts for some complex issues.
  • After all the calculations are completed, you can assist in writing English academic papers or patents, and provide submission suggestions.
  • Our researchers usually require a full understanding of biological experiments. They can quickly understand the project situation through a simple description, and quickly establish a feasible research plan according to the client's needs, saving a lot of time for literature research.

RNA molecular dynamics simulation service 1


  • CD ComputaBio support various force fields, such as CHARMM, AMBER and OPLS.
  • Periodic boundary conditions.
  • Energy minimization based on steepest descent and conjugate gradient.
  • High-performance program (GPU acceleration) capable of long-term simulation.
  • Calculation of free energy (combination, solvation, interaction).

Our molecular dynamics simulation services

RNA molecular dynamics simulation service 2

CD ComputaBio is a professional information science overall solution company that provides RNA molecular dynamics simulation services for the biopharmaceutical field. The team members are researchers from famous universities or scientific research institutions, they have extensive experience in simulation. If you have service needs in molecular simulation, please feel free to contact us.

* For Research Use Only.