Significance of Molecular modelling
Molecular modelling is a computational technique used in Computer-Aided Drug Design (CADD) to represent molecular structures and predict their interactions and behaviors. It involves simulating these structures, allowing for visualization and analysis of their dynamics. This method plays a crucial role in understanding how molecules interact with one another, enhancing the ability to design effective drugs and study biochemical processes.
Synonyms: Molecular simulation, Computational chemistry, Molecular design, Molecular graphics
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The concept of Molecular modelling in scientific sources
Molecular modelling is a computational technique utilized in Computer-Aided Drug Design (CADD) to create representations of molecular structures, enabling predictions of their behavior and interactions with other compounds.
From: The Malaysian Journal of Medical Sciences
(1) The computational simulation of molecular structures allowing visualization and analysis of molecular behavior.[1]