In-silico Studies
In-silico studies refer to the use of computer simulations and modeling to study biological processes, drug interactions, or disease mechanisms. These studies involve the analysis of data and virtual experimentation without the need for physical trials or laboratory work.
Molecular Docking
Molecular docking is a computational technique used to predict the interaction between two molecules, typically a drug and its target protein. It simulates how a small molecule (ligand) fits into the binding site of a larger molecule (receptor), helping to understand their binding affinity and stability.
ADME prediction (using ADMETlab)
ADME prediction refers to the assessment of a drug's Absorption, Distribution, Metabolism, and Excretion properties, which are crucial for determining its pharmacokinetics and effectiveness. ADMETlab is a computational tool that helps predict these properties by using machine learning and cheminformatics techniques.