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International Journal for Research Trends and Innovation
International Peer Reviewed & Refereed Journals, Open Access Journal
ISSN Approved Journal No: 2456-3315 | Impact factor: 8.14 | ESTD Year: 2016
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Impact Factor : 8.14
Issue per Year : 12
Volume Published : 11
Issue Published : 118
Article Submitted : 21686
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| Paper Title: | EXPLORING MOLECULAR DOCKING: TECHNIQUES, TOOLS, AND THERAPEUTIC INSIGHTS. |
| Authors Name: | Pasupuleti Kishore Kumar , Manne Navya , Potnuru Sai Lalitesh , Ramaram Nikitha , Tadikonda Rama Rao |
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IJRTI_203496
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| Published Paper Id: | IJRTI2505109 |
| Published In: | Volume 10 Issue 5, May-2025 |
| DOI: | https://doi.org/10.56975/ijrti.v10i5.203496 |
| Abstract: | Molecular docking is a vital computational technique in drug discovery and structural biology, used to predict the interaction between small molecules and their biological targets. This review explores the fundamental principles of molecular docking, highlighting its main types—rigid and flexible docking—and the algorithms that drive them. A comparative overview of widely used docking tools such as AutoDock, AutoDock Vina, Biovia Discovery Studio Visualizer and Open babel is provided. The advantages of molecular docking, including its efficiency, scalability, and cost-effectiveness, are discussed alongside key challenges such as scoring accuracy, receptor flexibility, and solvation effects. Finally, the review outlines major applications across drug development, virtual screening, and biomolecular interaction studies, emphasizing the role of docking in advancing modern biomedical research. |
| Keywords: | Docking, Autodock, Drug discovery. |
| Cite Article: | "EXPLORING MOLECULAR DOCKING: TECHNIQUES, TOOLS, AND THERAPEUTIC INSIGHTS.", International Journal for Research Trends and Innovation (www.ijrti.org), ISSN:2455-2631, Vol.10, Issue 5, page no.b53-b58, May-2025, Available :http://www.ijrti.org/papers/IJRTI2505109.pdf |
| Downloads: | 000530 |
| ISSN: |
2456-3315 | IMPACT FACTOR: 8.14 Calculated By Google Scholar| ESTD YEAR: 2016 An International Scholarly Open Access Journal, Peer-Reviewed, Refereed Journal Impact Factor 8.14 Calculate by Google Scholar and Semantic Scholar | AI-Powered Research Tool, Multidisciplinary, Monthly, Multilanguage Journal Indexing in All Major Database & Metadata, Citation Generator |
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Published Paper ID: IJRTI2505109
Registration ID:203496
Published In: Volume 10 Issue 5, May-2025
DOI (Digital Object Identifier): https://doi.org/10.56975/ijrti.v10i5.203496
Page No: b53-b58 Country: Medchal, Telangana, India Research Area: Pharmacy Publisher : IJ Publication Published Paper URL : https://www.ijrti.org/viewpaperforall?paper=IJRTI2505109 Published Paper PDF: https://www.ijrti.org/papers/IJRTI2505109 |
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ISSN: 2456-3315
Impact Factor: 8.14 and ISSN APPROVED,
Journal Starting Year (ESTD) : 2016
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