Introduction
In-Silico Bio-Solutions: Accelerating Discovery through AI-powered Bioinformatics
At In-Silico Bio-Solutions, we utilize artificial intelligence to accelerate the pace of innovation in life science research.
Our core expertise lies in Molecular Dynamics & Structural Biology, Hit Identification Pipelines, and Omics Data Analysis.
We enable faster, better discovery of therapeutics and molecular targets through the synthesis of cutting-edge computational methods and biological insights.
Our services
- Molecular Dynamics and Structural Biology
We offer advanced simulations to explore the behavior of biomolecules within systems:
- MD Simulations of Soluble and Membrane-bound Proteins: Simulating the dynamic behavior of proteins in solution and within lipid bilayer membranes.
- Ion Channel Dynamics: Investigating the gating phenomena and structure-function relationships of membrane-embedded ion channels.
- Protein–ligand binding simulations: Simulating the binding processes, conformational alterations, and energetic changes to assist in rational drug development.
- Hit Identification Pipelines
We enhance the primary phases of drug development :
- Screening for Lead Compounds: Performing virtual screening and docking simulation to identify the most promising. therapeutic candidates.
- Provide Quantitative Structure Activity Relationship analysis.
- ADMET Profiling & Toxicity Prediction.
- Omics Data Analysis
We offer end-to-end bioinformatics services tailored specifically for high-dimensional biological data:
- Single-Cell Analysis: Clustering, trajectory inference, and cell-type identification from scRNA-seq data.
- (RNA-Seq): Gene expression analysis, differential expression, and pathway enrichment.
- Genome Assembly & Annotation: Accurate genome reconstruction and functional annotation for a wide range of organisms.
- Biomarker Discovery: Discovery of molecular signatures for diagnostics, prognosis, or therapeutic targeting.
Molecular Dynamics & Structural Biology
- In-Silico Bio-Solutions employs high-resolution molecular dynamics (MD) simulations to elucidate the structure and function of biological macromolecules. We have capabilities for both soluble and membrane bound systems, which allows us to simulate proteins in water and in the lipid bilayer membrane.
- We conduct long-timescale simulations ranging from nanoseconds (ns) to microseconds (µs) to capture biologically relevant motions such as folding, binding, and conformational switching.
- Moreover, we carry out in-depth studies of binding and conformational change, as well as energetic calculations of protein-ligand binding, which give us the information of binding stability and the response to a change in conformation
Hit identification pipeline
- Our experienced team performs high-throughput virtual screening and molecular docking to pick potential lead molecules from massive chemical databases.
- We incorporate Quantitative Structure Activity Relationship (QSAR) modeling to establish correlations between chemical structure and biological activity in order to rationally optimize the candidate molecules.
- We perform ADMET profiling and toxicity prediction, such that selected hits not only show efficacy, but also possess favorable pharmacokinetic and safety profiles.
Omics Data Analysis
Our omics data analysis services are designed to handle complex, high-dimensional datasets with accuracy and clarity.
Our key offerings include
Single-Cell Analysis: Identification of cell types, clustering, and trajectory analysis using scRNA-seq data to reveal cellular diversity and function.
RNA-Seq Analysis: Comprehensive gene expression profiling, including quality control, differential expression, and pathway enrichment.
Genome Assembly & Annotation: Assembly and annotation of genomes for a range of organisms, enabling deeper genomic insights.
Biomarker Discovery: Identification of molecular signatures for disease diagnosis, prognosis, or therapeutic targeting.
We blend powerful computational tools with biological expertise to deliver high-quality, interpretable results tailored to the project’s needs.
Why to choose us?
- Comprehensive Scientific Knowledge with High-Level Simulation Capabilities
- We combine experts in molecular dynamics with specialists in structural biology and bioinformatics.
- We perform ns to μs long timescale molecular dynamics simulations of protein and docked complex.
- Single Cell & Omics Analysis at Scale
- We provide cutting edge analytics for transcriptomic and genomic datasets, including single-cell RNA-seq, genome assembly, and biomarker discovery.