Understanding Proteins: A Complete Protein Bioinformatics Analysis Workshop

In this pre-recorded, pre-scheduled and pre-outlined ​Understanding Proteins – A Complete Workshop of Protein Bioinformatics Analysis. You’ll be learning a huge set of Bioinformatics skills that can help you with your Bioinformatics analysis and research, you’ll be learning and practicing Protein Bioinformatics skills through our pre-recorded workshop.

Everything you can learn about a protein, computationally

Given a protein sequence, computational methods can tell you a great deal before anyone touches a bench: its physicochemical properties, its likely fold, where its binding sites are, what it may interact with, and how stable that interaction is. This workshop covers that full path in six segments, each building on the last, so you finish able to characterise a protein end to end.

The six segments

• Protein databases — retrieving sequences and structures from UniProt and the PDB, and understanding what each record does and does not tell you.
• Sequence alignment and analysis — primary analysis, physicochemical properties such as molecular weight and isoelectric point, and comparing your protein against its relatives.
• Secondary and 3D structure prediction — predicting fold where no experimental structure exists.
• Structure visualisation and evaluation — producing figures, and validating a model with Ramachandran and quality scores before trusting it.
• Molecular docking and virtual screening — predicting how a ligand binds, and screening compound sets against your target.
• Molecular dynamics — testing whether a predicted complex actually holds together in solvent.

Why the order matters

Each step depends on the quality of the one before it. Docking into a poorly validated homology model produces confident numbers about a structure that may be wrong; running dynamics on a bad docking pose wastes days of compute. The workshop is sequenced so that you learn to evaluate each output before building on it — which is the habit that separates usable structural work from a pipeline that merely runs.

What you can do afterwards

Take any protein of interest and produce a full computational characterisation: properties, predicted structure with validation, likely binding sites, docked complexes with candidate ligands, and simulation evidence for whether those complexes are stable. That is the standard package underpinning most structure-based drug discovery projects.

If you need this done rather than taught, see our molecular docking and molecular dynamics services.

Who it suits

Structural biologists, biochemists and drug discovery researchers who want the computational side of protein analysis in one place, and students who have used one or two of these tools in isolation and want to understand how they connect.