InSiliBio is a revolutionary contract research organization (CRO). We use innovating solutions to test molecules through original bioinformatic methods. Within the perspective of developing novel products and formulations, cosmetic, pharmaceutic and food companies undertake long research (up to several years), with expensive investments.
These experiments often provide only fragmented information. These trials are sometimes being conducted on living organisms (animals, human cell, etc. ), which are increasingly questioned from an ethical standpoint. Our proposed methods are fully ethical , fast , reliable and cost-effective . Our digital solutions either reduce risk and optimise the effectiveness of R&D programs. We are, in this way, pioneers in our molecular modeling sector.
than experimental procedures
calculations of physico-chemical descriptors
to reduce and prevent experimental costs
100% numerical solutions
Step 1 – Problematic
At InSiliBio, we can help you to decipher the interactions between xenobiotics (e.g., antioxidants, drugs, nutrients, toxins), xenobiotics with their environment. As an example, we are able to evaluate the free-radical scavenging properties of one or a serie of antioxidants and discriminate the capacity of each antioxidant to scavenge free radicals. Concerning the environment, we are able, for instance, to study lipid bilayers with various mixtures of choice (e.g., PC, PE, ceramides, cholesterols, FFA), and the impact of the composition and/or the impact of xenobiotics on the lipid bilayers (e.g., changing the lipid packing, thickness, area per lipid, order parameter) at the atomic resolution. We are also able to predict the coloration by deciphering the interactions between pigment and co-pigment.
Step 2 – Conceptualization
We will work together to tackle your problematics and propose you the best solutions depending on your needs. We will also design the solution that is able to fit with your deadlines. We can propose you deliveries, or working on longer projects with regular checks to ensure the satisfaction of our services. Our aim is to fulfill the gaps in understanding of your processes of interest by giving you the atomic resolution. We are thus here to guide you through your R&D and avoid potential unnecessary expenses.
Step 3 – 3D Modeling and parametrization
Once the conceptualization done, we will now design the simulation according to your experimental conditions (e.g., temperature, pressure, environment). We will also carefully check the robustness of our parametrizations (e.g., for the xenobiotics) for our simulations to ensure the robustness of our results. In the case of lipid bilayers, for instance, we will check the known properties of the lipids of choice to match your experimental conditions.
Step 4 – Supercomputers
Our simulations require a high computational power, We will use supercomputers to perform our simulations. The time required for our simulations will vary depending i) on the properties to evaluate and ii) the time you want to allocate for the simulation (e.g., according to specific deadlines). With supercomputers, we are able to simulate multiple conditions in parrallel in order to have results in a shorter period of time.
Step 5 – Demonstrated results and rendering
After our simulations were carefully checked to ensure that they are properly finished (e.g., enough sampling), we will evaluate the different interactions and properties occuring: e.g., how does the xenobiotic(s) partition in the system with a lipid bilayer? Why is it partitionning that way? What are the positions and orientations of the xenobiotc(s)? What is the impact of the lipids on the xenobiotic(s) and vice versa? We will answers such questions and more based on the needs, and give scientific insights on the molecular processes. We will also provide visualizations of the processes of interest for scientific and/or marketing purposes. With our simulations we can help you for scientific publications as well as patents.