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Recent Trends in Computer-aided Drug Design for Anti-cancer Drug Discovery.
Current Topics in Medicinal Chemistry, 2023Cancer is considered one of the deadliest diseases globally, and continuous research is being carried out to find novel potential therapies for myriad cancer types that affect the human body.
Iashia Tur Razia +11 more
semanticscholar +1 more source
2020
This chapter describes computer-aided drug design. In the early days of drug design, success often relied on a significant element of luck. As the drug design process developed, medicinal chemists were able to produce guidelines which made the process much less dependent on luck, allowing a more informed choice with respect to which molecules to ...
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This chapter describes computer-aided drug design. In the early days of drug design, success often relied on a significant element of luck. As the drug design process developed, medicinal chemists were able to produce guidelines which made the process much less dependent on luck, allowing a more informed choice with respect to which molecules to ...
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Recent Advancement in Computer-Aided Drug Design
Current Pharmaceutical Design, 2020Luciana, Scotti, Marcus Tullius, Scotti
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Computer-Aided Drug Design: An Overview
2018The term drug design describes the search of novel compounds with biological activity, on a systematic basis. In its most common form, it involves modification of a known active scaffold or linking known active scaffolds, although de novo drug design (i.e., from scratch) is also possible.
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Computer Aided Drug Design: Success and Limitations
Current Pharmaceutical Design, 2016Over the last few decades, computer-aided drug design has emerged as a powerful technique playing a crucial role in the development of new drug molecules. Structure-based drug design and ligand-based drug design are two methods commonly used in computer-aided drug design.
Mohammad Hassan, Baig +9 more
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Protein Flexibility and Computer-Aided Drug Design
Annual Review of Pharmacology and Toxicology, 2003Although computational techniques are increasingly being used in computer-aided drug design, the effects due to protein flexibility are still ignored in many applications. This review revisits rigorous statistical mechanical methods for predicting binding affinity, discusses some recent developments for improving their speed and reliability, and ...
Chung F, Wong, J Andrew, McCammon
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Computer Aided Drug Design: GPCRs and Proteases
2023Structure-based drug design is one of the more successful approaches used in medicinal chemistry to design and develop new drugs. One approach in structure-based drug design is to use high performance computers for analysing proteins and designing new lead molecules.
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Current topics in computer‐aided drug design
Journal of Pharmaceutical Sciences, 2008The addition of computer-aided drug design (CADD) technologies to the research and drug discovery approaches could lead to a reduction of up to 50% in the cost of drug design. Designing a drug is the process of finding or creating a molecule which has a specific activity on a biological organism.
Carlton A, Taft +2 more
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Computer-aided drug design at Boehringer Ingelheim
Journal of Computer-Aided Molecular Design, 2016Computer-Aided Drug Design (CADD) is an integral part of the drug discovery endeavor at Boehringer Ingelheim (BI). CADD contributes to the evaluation of new therapeutic concepts, identifies small molecule starting points for drug discovery, and develops strategies for optimizing hit and lead compounds.
Ingo Muegge +2 more
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