Scientific expertise

Molecular Modeling is the analysis of physical forces applied to molecules and the computation of energies. It enables visualization of rigid and moving molecules in three dimensions. To be efficient, molecular modeling requires powerful software and hardware to perform calculations, together with skillful scientific expertise to select the approach and decipher the results.  Both are mandatory, hence even if some good softwares is commercially available, the skill of Biosiris’ team in molecular modelling as well as in software development makes all the difference.

In-house technology platform

Biosiris has developed its specific package of expert softwares enabling the study of proteins and drugs. This technological platform is derived from more than 200 original scientific publications published by the Biosiris’ foundator, Pr R. Brasseur up to 2002, and has been adjusted to various biological domains through numerous collaborations with industrial and academic groups. These tools have been designed for the detection of functional sites from sequences, for the construction of three-dimensional models of structures and for the simulation of some biological properties as membrane permeability. Home-made, they are easily adjustable to any specific request. Moreover, for heavy calculations, Biosiris has access to a PC Beowulf parallel system of more than 300 processors.

Flexible services

Whether for a one-off intervention or a long-term collaboration, Biosiris considers that each request is unique and should be treated as such.  We always begin by a feasibility study, and subsequently propose different approaches, together with an analysis of their capacities and limits. This first step is free of charge.

Time- and money- saving

As a preparatory step in the approach to new compounds, molecular modeling can save time and hence money during the design of drugs. A large number of molecules can be tested in a short period of time for specific pertinent functions as membrane permeability.  Molecular modeling also deserves interest when it comes to  the comparative analysis of molecules, and the optimisation of drugs.  Molecular modeling can save time in protein technology by improving the production step, by detecting interaction and antigenic sites from sequence in the absence of structure, by proposing mutations to turn agonists into antagonists.  In silico tests split the biological functions into a series of biological properties and analyze them. They are cheaper than experimental studies and, when a huge number of molecules must be tested, the saving can amount to hundreds of thousands of euros.

Confidentiality

Biosiris is very concerned about confidentiality. Its technological platform is not connected to internet and secrecy agreements are systematically signed to legally protect both parties from any disclosure.