Molecular docking is a computational technique used to predict the preferred orientation of one molecule to a second when bound to each other to form a stable complex. It is widely used in drug discovery to model the interaction between small molecules and their protein targets, helping to identify potential therapeutic compounds.

Molecular Docking

Molecular docking

computational technique

Preferred orientation refers to the alignment of crystallites in polycrystalline materials, which can significantly affect the material's physical properties, such as strength, conductivity, and optical characteristics. Understanding and controlling preferred orientation is crucial in materials science and engineering for optimizing the performance of various materials in specific applications.

preferred orientation

stable complex

Drug discovery is a complex and multi-disciplinary process aimed at identifying new candidate medications, which involves target identification, lead compound discovery, and preclinical testing. The process is often lengthy and costly, requiring collaboration across various scientific fields to ensure the safety and efficacy of new drugs before they reach clinical trials.

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