PearlOmics is a Bioinformatics Research & Innovation Centre focused on bioinformatics, computational biology, teaching, research, and scientific communication. We bridge the gap between higher education, research, and industry through practical training, research support, and scientific expertise.
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Accelerate lead discovery and optimization with precision in silico pipelines—from target structure resolution and large-scale virtual screening to dynamic binding kinetics and ADMET profiling.
Explore our full range of computational drug discovery services — from structure modeling to preclinical optimization.
Generating 3D coordinates for unresolved proteins and mutated variants using template-based modeling and AlphaFold / ColabFold pipelines.
Optimization of protonation states, loop refinement, missing residue reconstruction, and druggability assessment of allosteric and orthosteric pockets.
High-throughput docking of multi-million compound libraries (ZINC, PubChem, natural product databases) against target catalytic sites.
Feature-based screening derived from known active scaffolds when 3D target structures are unavailable or highly flexible.
Target identification for polyherbal formulations or multi-component natural products using biological interaction networks.
Evaluating conformational stability of apo-proteins, protein-ligand, and protein-protein complexes under explicit physiological solvent conditions (100+ ns trajectories).
Quantitative post-simulation thermodynamic assessment to estimate true binding free energies and per-residue energy decomposition.
Early in silico assessment of drug-likeness (Lipinski's Rule of 5, Veber criteria), oral bioavailability, toxicity risks (hERG inhibition, hepatotoxicity), and BBB permeability.
Mathematical modeling linking chemical descriptors to biological activity (IC₅₀ / Kᵢ) for rational hit-to-lead analog design.
A rigorous, reproducible workflow from target intake to publication-ready deliverables.
Send us your target PDB ID or SMILES structures for an initial computational feasibility assessment and project scope.
