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How Our Molecular Simulation & Dynamic Services Can Help You ?

Molecular dynamics (MD) / Molecular simulation, first developed in the late 70s, has advanced from simulating several hundreds of atoms to systems with biological relevance, including entire proteins in solution with explicit solvent representations, membrane embedded proteins, or large macromolecular complexes like nucleosomes or ribosomes. In other words we can say that Molecular dynamics (MD) is simulation and dynamics studies with interacting atoms and/or molecules. Our Molecular Simulation Service & Dynamic Studies Services are an advantage over real experiments because of high cost, complications or too dangerous to perform.

Our molecular simulation and dynamic studies services offer specific application of the technique to three main issues (allosteric regulation, docking, and structure refinement) using various molecular dynamic software and tools with efficient and comprehensive molecular dynamic codes.

Molecular Simulation Service & Dynamic services of systems having 50,000–100,000 atoms are now routine, and dynamic studies of approximately 500,000 atoms are common when the appropriate computer facilities are available. This remarkable improvement is in large part a consequence of the use of high performance computing (HPC), and the simplicity of the basic MD algorithm Molecular dynamics simulations have evolved into a mature computational technique that can be used effectively to understand macromolecular structure-to-function relationships. Present molecular simulation and dynamic studies are close to biologically relevant ones. Information gathered about the dynamic properties of macromolecules is rich enough to shift the usual paradigm of structural bioinformatics from studying single structures to analyze conformational ensembles.

Key Areas of Molecular Simulation or dynamic services

Molecular Simulation and dynamic Service

  • Simple Protein Simulation and Dynamics Studies: In Molecular simulation & dynamics (MD) of protein, there are no experimental techniques available to study simulation and dynamics of proteins at the atomic level in appropriate time resolution. Hence, computer simulations and dynamic analysis are employed to simulate protein dynamics.
  • Protein-Ligand Simulation and Dynamics Studies: Simulating any docked complex is an approach which describes protein-ligand binding and unbinding on the basis of molecular simulation and dynamics (MD).
  • Free Energy calculations using simulation and Dynamics Studies: With the help of free energy profile, we can determine equilibrium and kinetic quantities.
  • Umbrella Sampling Simulation and Dynamics Studies: for a system undergoing changes systematically, umbrella sampling can be used.
  • Bi-phasic Simulations and Dynamics Studies: It involves the process of building a heterogeneous biphasic system with the help of dynamics studies and calculations.

Our Publications

We have wide range of research publications which showcases the work we have carried out for different clients and our in-house R&D in the past few years.

Our Case Studies

Our service solutions apply to different purposes such as molecular medicine,microbial genome application,agriculture, animal,comparative studies,discoveries etc.

Service Features

100% Post Service Assistance

We at RASA connect with our clients not only pre service or during service but also,after the service is delivered.

Data security

We assured highly secured data management and work environment.

Quality assurance

Our service aims at perfection and we deliver what is promised. We assure for quality assured services.

Experienced Team

Experienced portfolio management capabilities.

Service Customization

Apart from the package of services provided by us, we also customize service for our clients.

Free Services Training

We not only aim at delivering services but also provide onsite training on the services to the respective clients.

Our Achievements

Service Feedback

Our Molecular Simulation or Dynamics Services Workflow

  • 1.


    Communicate your requirements along with your data and we will start working on the service.
  • 2.


    To finalize the steps required to successfully execute the service.
  • 3.

    Service Execution

    Start to work on the service keeping in mind the design & the data.
  • 4.

    Result Evaluation

    Generating results from the service & discussing the same so that client understand it thoroughly.

Clients' Testimonial

Meet Our Team

Our Key Areas Of Life Science's Services

Bioinformatics Consultancy Services

RASA experts help you to model 3D protein structures & identify opportunities to streamline your research with genomics & proteomic data analysis.

Next Generation Sequencing Data Analysis Services

RASA experts help you to manage, organize,analyze your any type of genomic data by using gold standard Next generation sequencing data analysis i.e NGS Data Analysis methods.

Computational Drug Discovery Services

RASA prowess in computational chemistry, structural biology, molecular modelling, simulation.

Customised Services

We at RASA understand that the research you do is innovative and novel. Innovative research needs innovative solutions.We do provide customization in our services according to your research requirement.

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