Services
Research Services:
Computational chemistry of Bioactive Compounds
Quantum chemistry, density functional theory (DFT), electronic structure analysis, HOMO–LUMO analysis, geometry optimization, energy minimization, compound hardness, softness, and cheminformatics.
Computational genomics & Visualisation Pipelines
Genomic data analysis, next-generation sequencing (NGS), RNA-seq analysis, variant calling, differential gene expression, functional annotation, statistical genomics, genome browsers, primer design, sequence alignment, phylogenetic analysis.
In silico Drug discovery & Computational Biology
Structure-based drug design, ligand-based drug design, molecular docking and virtual screening, ligand–protein interactions, binding affinity, pharmacokinetics, ADMET prediction, MM/PBSA, MM/GBSA, QSAR, and molecular dynamics simulation.
LC-MS/MS, NMR data Processing
Spectral annotation and metabolite Identification.
Network Pharmacology
Phytochemical data mining, natural product databases, drug–target interaction networks, disease target prediction, pathway enrichment analysis (KEGG), gene ontology (GO), multi-target drug discovery.
Protein modeling and Immunoinformatics
Homology modeling, protein structure prediction, motif structure mapping, antigen–antibody interactions, epitope prediction, protein–protein interaction (PPI) analysis.
