Predict the Direction of Biochemical Reactions with Physics-Informed Molecular Modeling

BinomLabs analyzes physical parameters of molecular complexes — including:

affinity analyze,
dissociation constant,
entropy change,
enthalpy change,
thermal dissociation
electrostatic interaction energy — to identify whether a biochemical system is more likely to form, transition or decay. This helps laboratories interpret reaction direction and rank molecular states when experimental readouts are ambiguous.

A real molecular case study showing how BinomLabs compares initial, intermediate and final biochemical states to predict reaction direction, complex formation, decay and affinity ranking before full experimental validation.

What do we have for obtaining information about the direction of a biochemical reaction?

Analysis of the biochemical complex N1

We investigate how the physical parameters characterizing system N1 (wtBRAF) change when the system transitions to state N6 and N3 (mutBRAF)

Each protein complex has its own physical parameters that determine the interaction:

The analysis of changes in these values makes it possible to detect the formation and decay of biological complexes, as well as to rank biological complexes according to their degree of affinity.

Determining the pathways of biochemical processes

The fraction of non-dissociated molecules after the reaction and concentration protein-ligand complex
Entropy Change . The case of a one-dimensional normal distribution

3.Entropy Change . The case of multinormal normal distribution
4.Constant dissociation
5. Enthalpy change
6. The thermal dissociation
7. Potential energy of electrostatic interaction between all amino acid residues taken in pairs

Additional calculated parameters:

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