Tutorials

Molecular docking is a key computational technique that helps predict how molecules, such as drugs and enzymes, interact with one another. This process involves simulating the binding of a ligand to its target protein, aiding in the design of new therapeutic compounds.

Molecular dynamics is a simulation method to analyze the physical movements of atoms and molecules over time. By using Newtonian mechanics, this approach allows researchers to observe and predict the behavior of molecular systems in various environments, providing deep insights into molecular interactions.

Density Functional Theory (DFT) is a quantum mechanical method used to investigate the electronic structure of many-body systems. It approximates the ground state energy of a system by considering electron density, allowing chemists to study complex molecular systems effectively.

ADMET stands for Absorption, Distribution, Metabolism, Excretion, and Toxicity. This analysis evaluates the pharmacokinetic properties and safety of compounds, providing important insights necessary for drug development and evaluation.

You can access our tutorials by visiting the Tutorials section of our website. We offer a range of guides tailored to different skill levels, so whether you are new or experienced, you will find valuable resources that suit your needs.