Quantum mechanics (QM), although not new to the field of molecular interactions, has till now been used only to study small systems because of the computational limitation and cost associated with it. This limitation and cost is caused by the scaling of the number of electrons (N) in the system, which is to the power of three, N3.

Recently, a “linear-scaling revolution” is occurring in quantum mechanics. This development is allowing for the first time the routine examination of large molecular assembles (e.g., proteins and DNA in water) using electronic structure methods. One of these approaches is the divide and conquer method, which is now implemented in the DivCon Discovery Suite by QuantumBio Inc.

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Linear-Scaling + Moore's Law makes using QM to analyze large complexes on a daily basis possible

QuantumBio is developing a next generation of CAMM & CADD tools to meet the following requirements:


  • Leveraging the precision of quantum mechanical approaches to model interactions between proteins and small molecules.

  • Combining quantum chemistry algorithms with the advances in computer power to allow modeling of biomolecules with thousands of atoms.

  • Allowing scientists to study large metallic protease systems in silico.

  • Providing advance infrastructure to keep in silico platform as open and flexible as possible, so the scientist can easily function in multiple environments.

  • The solution is faster and more predicative CADD and CAMM tools to accelerate drug development.


For more information, the interested reader is encouraged to take a look at the numerous select papers that have been published using QuantumBio technology.