SaaS Platform

Easy to use and pay-per-service

Our SaaS platform has been developed by Mind the Byte to break through the most important technological and economic barriers of computational design for companies and research centres.

Mind the Byte offers a pay-per-use SaaS platform (Software as a Service) with latest generation software. We provide a versatile set of applications using cloud computing which lowers the entry barrier to the technology.

Our virtual profiling methods can facilitate target identification and elucidate the mechanisms of action (MoA) of phenotypic screening hits or natural products with reported activity.

Additionally, our virtual screening methods let you identify compounds acting on a specific target by mining internal or commercial compound libraries, expand hit or lead series and conduct repurposing of known drugs.

It is easy to use and intuitive

Users do not require training because the platform is really intuitive. Our users have a manual at their disposal and can navigate through sample experiments to get used to the platform. In case additional support is needed, our technical and scientific teams will be very happy to assist you.

You only pay for what you actually use

You pay per service or calculation, fully on-demand, and regardless of the number of users. For those users who expect to run many experiments, there are several flat fee options available. Learn more in Plans & Pricing.

No need to purchase licenses & constantly updated

Classical computational chemistry software requires you to pay for scientific software, server installation or maintenance. Our clients save up to 67% on investments in technology! Also, we are constantly improving our platform and launching new tools to make your research easier and more efficient.

Scalable and uninterrupted access

Cloud computing lets you scale resources up or down to meet your computer power needs at any given time. You will also be able to access your experiments from any place or device.

Secure and collaborative

Our SaaS platform for drug discovery is supported by the certified infrastructure of Amazon Web Services (AWS). These environments are continuously audited, with certifications from accreditation bodies across the globe.  We guarantee a safe working environment by encrypting all data transfers, by strictly safeguarding services and by conducting system audits with penetration testing. Still, you can share information with other team members within the SaaS platform.

Check our tools:

https://www.mindthebyte.com/wp-content/uploads/2018/01/Cabrakan.pngMolecular profiling in only 5 minutes

Cabrakan is a 2D ligand-based target profiling application that makes use of the molecular similarity principle to predict the biological profiles of molecules. To improve their scaffold hopping capabilities, MtB’s 2D similarity-based applications use three different types of molecular fingerprints describing molecules from a different perspective. MtB’s biological database (shared with Hurakan) contains almost three thousand protein targets and half a milion ligands accounting for ca. one million of unique ligand-target interactions. Cabrakan combines high-throughput computation times (5 min./mol. approx.) with high detection power and reliable scaffold hopping capabilities.

 

Applications

  • Determination of the mechanism of action (MoA).
  • In silico biological characterization of molecules.
  • Identification of potential targets for orphan drugs/molecules.
  • Identification of off-targets potentially linked to drug adverse effects.
  • Identification of potential off-targets related to alternative therapeutic uses.

https://www.mindthebyte.com/wp-content/uploads/2018/01/Hurakan.png3D ligand-based virtual profiling

Hurakan is a 3D ligand-based target profiling application that exploits the molecular similarity principle to predict the biological profiles of molecules. Molecular similarity is calculated from the superposition of molecules by evaluating their shape complementarity and taking into account the differential arrangement of their respective pharmacophoric groups in the three-dimensional space. Hurakan combines HPC (high-performance computing) with high detection power and excellent scaffold hopping capabilities.

 

Applications

  • Determination of the mechanism of action (MoA).
  • In silico biological characterization of molecules.
  • Identification of potential targets for orphan drugs/molecules.
  • Identification of off-targets potentially linked to drug adverse effects.
  • Identification of potential off-targets related to alternative therapeutic uses.

https://www.mindthebyte.com/wp-content/uploads/2018/01/Ixchel.png3D protein-based virtual profiling

Ixchel is a docking-based target profiling application. Using Ixchel, input molecules are docked against a panel of 2000 selected binding pockets belonging to ca. 700 protein targets. This structural data has been collected from the Protein Data Bank (PDB) and conveniently processed and curated to ensure that all included binding pockets correspond to biologically relevant binding pockets, occupied in the original experimental structures by protein function modulators and/or substrates. Ixchel combines HPC (high-performance computing) with reasonable detection power and extraordinary scaffold hopping capabilities.

 

Applications

  • Determination of the mechanism of action (MoA).
  • In silico biological characterization of molecules.
  • Identification of potential targets for orphan drugs/molecules.
  • Identification of off-targets potentially linked to drug adverse effects.
  • Identification of potential off-targets related to alternative therapeutic uses.

https://www.mindthebyte.com/wp-content/uploads/2018/01/Chaac.png2D virtual screening

Chaac is a 2D ligand-based screening application that, given a compound library and using a target molecule as a query, returns a hit list containing the most similar compounds. To improve scaffold hopping capabilities, a 2D consensus similarity is calculated by using three different types of molecular fingerprints, each one of them describing molecules from a different perspective and with a different degree of fuzziness.

 

Applications

  • Hit identification.
  • IP portfolio expansion.
  • Identification of tool compounds for proof of concept studies.

https://www.mindthebyte.com/wp-content/uploads/2018/01/Kizin.png2D ligand-based compound selection

Kizin is a 2D ligand-based target screening application that, given a compound library and a protein target of interest, returns a hit list contining those compounds with a predicted activity above a given activity threshold. To improve scaffold hopping capabilities, a 2D consensus similarity is calculated by using three different types of molecular fingerprints, each one of them describing molecules from a different perspective and with a different degree of fuzziness.

 

Applications

  • Hit identification (bioisosteric diversity).
  • Database subset prioritization.

https://www.mindthebyte.com/wp-content/uploads/2018/01/Ik.png3D virtual screening

Ik is a 3D ligand-based screening application that, given a compound library and using a target molecule as a query, returns a hit list contining the most similar compounds. 3D similarity is calculated from the superposition of molecules by evaluating their shape complementarity and taking into account the differential arrangement of their respective pharmacophoric groups in the three-dimensional space. Although 3D-based approaches tend to be more computationally-demanding than their 2D-based counterparts, they show enhanced scaffold hopping capabilities, allowing the identification of non-analogous bioisosteric compounds.

 

Applications

  • Hit identification (non-structural analogs).
  • IP portfolio expansion.
  • Identification of tool compounds for proof of concept studies.

https://www.mindthebyte.com/wp-content/uploads/2018/01/Itzamna.png3D protein-based virtual screening

Itzamna is a docking-based screening application that, given a compound library and using a protein target structure (PDB file) as a query, returns a ranked list of compounds according to their docking energies. All MtB docking applications incorporate MTBdock, a proprietary docking protocol which includes different improvements: a better description of the binding pocket, conformational sampling of ligands and docking poses minimization and re-scoring.

 

Applications

  • Hit identification (novel chemotypes).
  • Orphan target screening.

https://www.mindthebyte.com/wp-content/uploads/2018/01/Kin.pngBlind-docking

Kin is a blind docking application particularly useful for the determination of the Mode-of-Action of ligands, the assessment of protein druggability and the identification of allosteric binding sites in proteins.

 

Applications

  • Determination of ligands’ Mode-of-Action (MoA).
  • Assessment of protein druggability.
  • Identification of allosteric binding sites.

https://www.mindthebyte.com/wp-content/uploads/2018/01/Ixtab.pngManagement of chemical libraries

Ixtab is a compound library management tool that allows uploading user’s compound libraries to be explored using all the available virtual screening applications: Chaac, Kizin, Ik and Itzamna.