With increased competition and shorter product life cycles, the traditional laboratory trial-and-error has become too slow and costly. Efficient process modelling has replaced time-consuming, dangerous and difficult-to-monitor experiments.

“We can save your time and money if we conduct the experiment in silico before you conduct it in vitro and in vivo”

Computational modelling has proved to bring multiple benefits to researchers. The most crucial ones include:

It helps set the right direction for further study

It enables researchers to gain deeper insights

It significantly reduces the costs spent on reagents

It allows for a more accurate interpretation of the results and clearer perspectives of applied research

Stanislav Bachurin, Co-founder, Ph.D in Physical Chemistry

Michael Yurushkin, Co-founder, Ph.D in Computer Science

Who We Are

We are a research team that offers knowledge and expertise in theoretical/computational chemistry. We help our clients solve both typical tasks (quantum chemical calculations and more) and non-trivial ones to overcome the unique challenges of your business.

Our company mission is to accelerate and enliven our client's biological, biotechnological, pharmaceutical, or medical research with accurate and actionable modelling results.

Our Research Areas

Combining cutting-edge technologies with deep expertise, we offer top-class tailored services to each client. Take a look at the array of computational services we offer below:

Quantum Chemical Calculations

Compute a wide variety of properties of almost any kind of atomic system and get a more detailed understanding of the mechanisms involved in known chemical reactions.

ONIOM (QM/MM) Calculations

Harness high-precision and multi-scale QM/MM calculation to study chemical reactivity in large systems while reducing costs and modelling time.

Molecular Dynamics (MD) Methods

Reduce calculation period and save labour costs by allowing atoms and molecules to interact within fixed time limits and giving a dynamic "evolution" view of the system.

Visualization of Theoretical Findings

We use charts, graphs, maps and other data visualization tools to provide you with an accessible way to see the research results and act on this information.

AI/ML Research

Our AI/ML algorithms can be trained with your experimental data or with simulation-generated data to predict properties and optimize your resources.

What you gain with us

Get a competitive advantage with a better-conceived experiment strategy and deeper insights into the processes happening in it. With our computational biomodelling services, you can:

  • Get key insights about the processes at the molecular level

  • Execute simulation experiment while reducing raw material usage

  • Simulate conditions that are hard to reach experimentally

  • Predict the most promising medicinal substances without synthesizing them

  • Execute simulation study of the flow behavior of biopolymers, proteins, nucleic acid, you name it in changing conditions

  • Accelerate chemicals discovery and reduce the time-to-market of your new products

  • Execute simulation study of changes in biopolymer properties after mutation

  • Create clarity and direction for complex research challenges

Your Partner In Computational Research

We value action and research. At the heart of our business lies our expertise and passion for turning intractable challenges into feasible ones. We, therefore, take utmost care to consult and conduct meticulous studies for the best results.

Extensive knowledge & experience in quantum chemistry

Capability to solve challenges of any complexity & within expected timelines

Reliable molecular simulation software

Original compounds synthesized in-house

Ready to get started?

We are looking forward to working with you on your next biomodelling project. Send as many project details as you can and receive a call/email from our manager.

If you are seeking assistance for biomodelling research, please feel free to contact us for all the details!