Advancements in Computer-Aided Drug Design: A Comprehensive Review

In the last few years, the Computer-Aided Drug Design and Discovery is many successes rates. Computational drug design is used for drug lead discovery in various pharmaceutical industries and academic institutions. In the current era of medication research and discovery, structural data is crucial. Various docking programs have been created to visualize the three-dimensional structure of molecules. Drug design software that runs on computers is used to examine the docking score. It is a virtual screening technique for target molecule orientation, conformation, and position that is based on structure. The idea of ligand and protein docking is novel. Biological pathway analysis, de Novo drug design, and lead molecule optimization are the three complex aspects of the molecular docking approach

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Publication Details

Journal
Journal of Neonatal Surgery
Published
2025-09-18
DOI
https://doi.org/10.63682/jns.v14i7s.9173
Primary Topic
Computational Drug Discovery Methods
Type
article
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article

Advancements in Computer-Aided Drug Design: A Comprehensive Review

A. Rajendiran, R. K. Pal, Avdhesh Kumar, Aniket Yadav et al.
Journal of Neonatal Surgery
Computational Drug Discovery Methods
article

Advancements in Computer-Aided Drug Design: A Comprehensive Review

A. Rajendiran, R. K. Pal, Avdhesh Kumar, Aniket Yadav, Anju Singh, H.S. Bhadauria, Sachin Sachin
article en

Abstract

In the last few years, the Computer-Aided Drug Design and Discovery is many successes rates. Computational drug design is used for drug lead discovery in various pharmaceutical industries and academic institutions. In the current era of medication research and discovery, structural data is crucial. Various docking programs have been created to visualize the three-dimensional structure of molecules. Drug design software that runs on computers is used to examine the docking score. It is a virtual screening technique for target molecule orientation, conformation, and position that is based on structure. The idea of ligand and protein docking is novel. Biological pathway analysis, de Novo drug design, and lead molecule optimization are the three complex aspects of the molecular docking approach

Journal of Neonatal SurgeryVol. 14(7S)
Openalex Percentile: Top 73%
Computational Drug Discovery Methods
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