From atoms to answers.
BioInfoX is one of the pioneering bioinformatics companies in Pakistan and the first based in Lahore. We have completed more than 1,000 projects for researchers worldwide, from molecular docking and dynamics to DFT and bioinformatics, helped them publish their research papers, and trained thousands of students.
Adenylate kinase 1,656 heavy atoms moving between the open (PDB 4AKE) and closed (PDB 1AKE) states, from a real transition trajectory.
Research by our team is published in
- Scientific Reports
- International Immunopharmacology
- Molecular Genetics and Genomics
- ChemistrySelect
- Naunyn-Schmiedeberg’s Archives of Pharmacology
01 Docking and dynamics
We watch proteins move.
Docking finds where a molecule binds. Molecular dynamics shows whether it stays there. We run simulations from 100 ns to 2,000 ns, up to ten in parallel, and a 100 ns run takes about 3 days. You receive trajectories, graphs, a movie and a written report.
- 01
Molecular docking
Docking, virtual screening and interaction analysis
- 02
Molecular dynamics
Simulation setup, trajectory analysis and binding-energy estimation
Adenylate kinase 1,656 heavy atoms moving between the open (PDB 4AKE) and closed (PDB 1AKE) states, from a real transition trajectory.
02 Quantum chemistry and materials
Electrons, orbitals and materials.
Density functional theory gives the electronic picture behind reactivity and stability: optimised geometries, HOMO–LUMO gaps and electrostatic potential maps, for drug molecules and for materials such as photocatalysts and perovskite solar cells. Results for one molecule in about 2 days.
- 03
DFT and quantum chemistry
Geometry optimization, HOMO–LUMO, MEP and electronic properties
Gold nanoparticle A Mackay icosahedron of 1,415 gold atoms with a thiolate shell. Built model.
03 Sequences and vaccines
From sequence to vaccine.
We analyse sequences, model proteins and work through biological data, then predict epitopes and design multi-epitope vaccine candidates in silico.
- 04
Bioinformatics
Sequence analysis, protein modelling and biological data analysis
- 06
Immunoinformatics
Epitope prediction and in silico vaccine design
B-DNA 34 base pairs at 3.38 Å rise and 36° twist. Built model.
04 Networks and prediction
Targets, networks and models.
Network pharmacology maps how a compound reaches its targets. QSAR, molecular descriptors and machine learning predict how a new molecule will behave before anyone makes it.
- 05
Network pharmacology
Target networks, enrichment analysis and Cytoscape visualizations
- 07
AI and cheminformatics
QSAR, molecular descriptors and predictive models
Target network Eight communities around hub targets. Illustrative.
05 Bioinformatics Training Program
Cohort 3 starts 23 October.
Five hands-on modules in live weekend classes, for students, faculty and professionals in Pakistan: machine learning, immunoinformatics and vaccine design, molecular dynamics, cancer bioinformatics, and mutation and variant analysis.
DPPC vesicle Coarse-grained lipid head groups from MDAnalysis test data, with their tails.
Sample output
100 ns, 23 graphs, one report.
Real graphs from one of our simulations: a 300-residue vaccine construct run in GROMACS for 100 ns and analysed with our standard pipeline.
Every simulation project receives these analyses as images and xmgrace files, with trajectories, structure snapshots, a trajectory movie and a written report.
See all 23 graphsOur responsibility
We take full responsibility for every analysis we perform.
World-class analysis
Every study is set up, run and checked by working researchers, to the standard a peer-reviewed journal expects.
Open to challenge, anywhere
Our results can be challenged by your supervisor, a reviewer or another laboratory. We show our methods, settings and data so that anyone can check them.
We answer for every result
If a result is questioned, we explain how it was produced. If we made an error, we correct it and rerun the work at no charge.
Reviewer revisions
A reviewer asked for more analysis?
Send us the reviewer comments and your structures. We run exactly what was asked for, whether a molecular dynamics simulation, MM-PBSA binding energies, DFT or redocking, and write up the methods and results for your response letter.
- 2 days docking or DFT
- 3 days a 100 ns simulation
Founder and Chief Executive Officer
Muhammad Nouman Majeed
PhD Scholar · Bioinformatician
Muhammad Nouman Majeed founded BioInfoX and leads it today. His research covers in silico vaccine design, molecular dynamics simulations and computational drug discovery, with a focus on protein–ligand interactions and multi-epitope vaccines.
06 One research partner
Empowering bioinformatics.
Every atom on this page took its place from real coordinates or exact geometry. Send us yours, and we will tell you what they do.
The BioInfoX mark 13 nodes and 24 links, drawn in 1,656 points.