Bioinformatics Algorithms for Molecular Docking: IT and Chemistry Synergy

Authors

  • Marcus Rodriguez Princeton Institute for Computational Science and Engineering (PICSciE), Princeton University, NJ, USA
  • Jayadip GhanshyamBhai Tejani Industrial Chemist, Production Department, National Rubber Corporation, Canonsburg, PA, USA
  • Rajani Pydipalli Senior Team Lead, FSP Programming, Cytel Statistical Software Solutions, India
  • Bhavik Patel PCB Design Engineer, Innovative Electronics Corporation, Pittsburgh, PA, USA

DOI:

https://doi.org/10.18034/apjee.v5i2.742

Keywords:

Bioinformatics, Molecular Docking, Computational Chemistry, IT, Chemistry Synergy, Computational Biology

Abstract

Drug discovery and molecular biology can be advanced through the synergistic combination of bioinformatics techniques and molecular docking. This research attempts to investigate the most recent developments in this multidisciplinary subject, emphasizing enhancing the efficiency and accuracy of predictions. The process entails a thorough literature review and an analysis of significant advancements in search algorithms, machine learning integration, and scoring systems. Notable discoveries include improved search and scoring algorithms powered by machine learning methods that enhance protein flexibility and binding affinity predictions. The report highlights issues like data availability and computational complexity and suggests policy solutions, such as data-sharing programs, computational infrastructure investments, and regulatory guidelines for AI-driven drug discovery. This study highlights the revolutionary potential of bioinformatics docking synergy, opening the door for faster therapeutic advancements in the biomedical sciences and personalized medicine.

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Published

2018-12-31

Issue

Vol. 5 No. 2 (2018): July - December Issue

Section

Articles

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Copyright (c) 2018 Marcus Rodriguez, Jayadip GhanshyamBhai Tejani, Rajani Pydipalli, Bhavik Patel

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How to Cite

Rodriguez, M., Tejani, J. G., Pydipalli, R., & Patel, B. (2018). Bioinformatics Algorithms for Molecular Docking: IT and Chemistry Synergy. Asia Pacific Journal of Energy and Environment, 5(2), 113-122. https://doi.org/10.18034/apjee.v5i2.742