Molecular docking serves as a crucial computational tool in the realm of drug discovery and development, aimed at understanding the interactions between small molecules and target proteins. This study delves into the objective of elucidating the evolution of molecular docking techniques, their current applications, and potential future directions. Through a comprehensive review of the literature and analysis of recent advancements, this study provides insights into the methodologies employed in
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Sahu et al. (2024) studied this question.
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