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Overview
Our In-Silico Simulation Services provide advanced computational modeling and simulations to support research, drug discovery, environmental studies, and molecular biology. These simulations enable cost-effective, time-saving, and ethically sound alternatives to traditional wet-lab experiments by using high-performance computing and bioinformatics tools.
🧬 Core Services in In-Silico Analysis
🧪 Drug Discovery & Molecular Docking
- Ligand-receptor interaction studies
- Molecular docking of small molecules to target proteins
- Binding affinity prediction and scoring
- Virtual screening of drug libraries
- Structure-based drug design (SBDD)
🔬 Molecular Dynamics (MD) Simulations
- Protein-ligand complex stability
- Conformational changes and protein folding
- Solvation, temperature, and pressure effects
- Analysis of trajectory data (RMSD, RMSF, H-bonds, etc.)
🧬 Bioinformatics & Genomic Simulations
- Gene/protein structure prediction
- Sequence alignment and phylogenetic analysis
- Protein modeling (homology modeling, ab initio prediction)
- SNP effect prediction and functional annotation
🌍 Environmental & Toxicological Modeling
- Prediction of toxicity and ADMET properties
- Environmental exposure modeling
- QSAR (Quantitative Structure–Activity Relationship) studies
- Computational ecotoxicology for chemicals and pollutants
🧫 Systems Biology & Network Simulations
- Metabolic pathway modeling
- Protein-protein interaction networks (PPI)
- Simulation of gene regulatory networks
- Cellular signal transduction modeling
⚙️ Tools & Platforms Used
- AutoDock, PyRx, Schrödinger, MOE
- GROMACS, NAMD for MD simulations
- SwissADME, PROTOX-II, ADMETlab
- BLAST, MEGA, Clustal Omega, Phyre2
- Cytoscape, KEGG, STRING
🔒 Quality & Expertise
- Services handled by trained computational biologists and bioinformaticians
- Custom pipelines tailored to client or research needs
- Confidentiality assured with NDA options for proprietary projects
- Reports include visualizations, interpretations, and raw data
🧩 Applications
- Pharmaceutical and nutraceutical research
- Predictive toxicology and pharmacokinetics
- Environmental risk assessments
- Genomic annotation and evolutionary studies
- Pre-clinical simulation of biological responses
📩 Contact Us
For collaboration, custom simulations, or consultation, please email us directly at:
👉 admin@hashimnexus.com.ng
Let’s help you accelerate your science with powerful computational insights.
