Bioinformatics & Computational Chemistry

We offer computational support in molecular modeling, in silico analyses, and structural bioinformatics. We combine cheminformatics tools, predictive platforms, and simulation methods, delivering results ready for publication in scientific journals. Every project is carried out with full methodological documentation. The service is fully modular — you can commission the entire project or select any individual element.

What the service includes

In silico analyses and profiling

ADMET profiling — prediction of pharmacokinetic and toxicological properties using predictive platforms (SwissADME, ProTox, pkCSM, and others)

Analysis of physicochemical properties and lipophilicity of compounds

Prediction of biological activity and therapeutic potential

Molecular modeling

Molecular docking — identification of ligand binding mode to the target protein

Molecular dynamics (MD) simulations — analysis of biomolecular system stability over time

Protein-protein interaction (PPI) and protein-ligand analysis

Homology protein modeling

Bioinformatics

DNA, RNA, and protein sequence analyses

Gene expression analysis

Phylogenetics and comparative genomics

Documentation and reporting

Visualization of molecular structures and docking results

Methodology section description ready for inclusion in a manuscript

We also carry out other computational projects tailored to individual research needs.

Each of the above elements can be commissioned separately.

Implementation process

Project analysis

We discuss the research goal, available input data, and timeline.

Method selection

We select optimal tools and computational platforms tailored to the research problem.

Execution

We perform computations and analyses with full methodological documentation.

Review and refinement

Internal verification of results accuracy; we incorporate your feedback.

Finalization and delivery

We deliver results, visualizations, and a methodology description ready for publication.