All models are wrong, but some are useful. Let’s make some useful models.


Docking is like a discotheque: it is all about posing and scoring – Roger Sayle

Homology Modelling

Build a Protein: From Amino Acid Sequence to 3D Structure


Quantitative structure-activity relationship (QSAR) is a well-known in silico technique used to identify the relationship between response (biological activity) and structural features (descriptors) for a set of chemicals. QSAR has extensive applications in diverse research areas such as drug design, predictive toxicology, nanomaterials science, food science, etc.

Homology Modeling

Protein with similar functions have similar secondary structures and possess sequence homology. Thus, for an amino acid sequence with no structural data, a model structure can be built using the structural data of a homologous protein. And this process of model building is termed as ‘Homology Modeling’.

Molecular Docking

Molecular docking is a computational technique that aims to predict the favoured orientation of one molecule (ligand) to a second (macromolecular target) when they are bound to each other to form a stable complex. It is a well-established and widely used tool in drug design and discovery.

Next-Generation Sequencing

Next-generation sequencing (NGS) data analysis focused on the identification of biomarkers and target candidates related to specific biological characteristics using computational and statistical analysis

Developed Any Good Drugs Lately?

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