The Center for Computational Biology and Bioinformatics is dedicated to advancing biological research through cutting-edge computational methods and bioinformatics tools.
Our team of expert computational biologists and bioinformaticians provides comprehensive services ranging from molecular docking to large-scale data analysis, helping researchers accelerate their discoveries and make meaningful contributions to the field of life sciences.
Enterprise-grade security for your research data
GPU-accelerated computations for faster results
Dedicated team of computational biologists
Comprehensive data analysis and visualization
Comprehensive computational biology solutions powered by the DrDS MolDyn Suite
GPU-accelerated AutoDock docking pipeline for high-throughput drug discovery. Includes ligand preparation, receptor configuration, batch docking, and comprehensive statistical analysis of binding affinities.
Complete virtual screening workflow with 20 pre-built databases containing over 16.3 million compounds. Integrated with ZINC (~10.1M), COCONUT, DrugBank, PDB-Ligand, HMDB, FDA libraries, and DRDS-PhytoDB via VSFlow.
End-to-end GROMACS 2024.4 GPU-accelerated molecular dynamics pipeline. From complex preparation through NVT/NPT equilibration to production MD runs, with MM-PBSA/GBSA binding energy calculations.
Homology modelling with MODELLER, AI-powered structure prediction with AlphaFold, and pharmacophore analysis with OpenPharmaco. Includes loop refinement, model evaluation, and quality assessment.
Open-source DFT via PySCF 2.9 + GPU4PySCF on NVIDIA A30. Compute HOMO/LUMO energies, Mulliken charges, frontier MO diagrams, 3-D orbital isosurfaces, and quantum reactivity descriptors.
Plane-wave DFT via Quantum ESPRESSO (pw.x). SCF, relax, and band-structure calculations with full visualisation pipeline — DOS, PDOS, charge density, and HOMO/LUMO analysis.
Publication-quality analysis tools for MD trajectories, docking results, and DFT outputs. RMSD/RMSF/SASA/Rg plots, free energy landscapes (FEL), DCCM plots, 2D PCA, and binding site analysis.
A Galaxy-based genomics workbench for next-generation sequencing: run reproducible pipelines for read QC, alignment, variant calling and RNA-seq analysis directly in your browser.
Selected research from our team
Expert computational biologists and bioinformaticians
Professor
Computational Biology & Bioinformatics
Contact us for your computational biology needs
Centre for Computational Biology and Bioinformatics
University of Calicut, Kerala, India - 673635