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5 articles for “De novo design”
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The Art of Drug Design and Process Chemistry
Abstract: The creation of safe and efficient medications depends heavily on the art of drug design and process chemistry. This multidisciplinary discipline designs and optimizes drug candidates for therapeutic uses by fusing the concepts of biology, chemistry, and engineering. Researchers can develop compounds with pharmacological activity by using logical drug design techniques if they have a thorough understanding of the molecular targets implicated in disease pathways. By making it easier to …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 1, 2025 · pp. 1–10 Read article
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Illuminating the Frontier of Drug Discovery: Unleashing the Power of Bioinformatics for Unprecedented Breakthroughs
Abstract: It takes a long time and a lot of effort to discover and develop new drugs, which necessitates extensive study and testing. With the help of computational techniques and data analysis, bioinformatics has grown to be a potent tool for drug discovery in recent years, allowing researchers to find new drugs faster. In this review, we examine the role of bioinformatics in drug discovery, including the use of ligand- and …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 2, 2023 · pp. 1–10 Read article
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AI-Based Discovery of High-Performance Energy Storage Polymer Composites: A Comprehensive Review
Abstract: The accelerating global demand for high-performance energy storage systems has stimulated significant research into advanced polymer composites as next-generation electrolytes, electrode binders, and functional membranes for batteries, supercapacitors, and photovoltaic devices. However, the vast compositional and structural design space of polymer materials presents formidable challenges for conventional trial-and-error discovery strategies, which remain slow, costly, and biased by prior expert knowledge. Machine learning (ML) and artificial intelligence (AI) have emerged as …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 1083–1097 Read article
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A Study on The Impact of Artificial Intelligence in Pharmaceuticals
Abstract: The main goal of artificial intelligence (AI) is to create intelligent modeling, which facilitates knowledge imagination, problem-solving, and decision-making. AI is becoming more and more significant in several pharmacy domains, including polypharmacology, hospital pharmacy, drug discovery, and drug delivery formulation development. Various types of artificial neural networks (ANNs), including deep neural networks (DNNs) and recurrent neural networks (RNNs), are utilized in the development of drug delivery formulations and in drug …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 12, Issue 1, 2025 · pp. 24–32 Read article
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Metagenome-Informed Engineering of Monoclonal Antibodies: Mining Microbial Immunoglobulin-Like Domains for Ultra-Stable Therapeutics
Abstract: Metagenome-informed engineering represents an emerging strategy for improving the stability and functionality of monoclonal antibodies (mAbs) by leveraging the vast diversity of microbial immunoglobulin-like (Ig-like) domains (10,24). These domains, derived from uncultured bacteria and bacteriophages, exhibit exceptional thermostability, protease resistance, and structural resilience due to adaptation to extreme environments (29,30). This review highlights advances in metagenomic mining, structural characterization, and protein engineering that enable the integration of microbial Ig-like scaffolds …
Published in Research and Reviews : A Journal of Biotechnology · Vol. 16, Issue 1, 2026 Read article