Relevant bibliographies by topics / Drug design

Contents

  1. Journal articles
  2. Dissertations / Theses
  3. Books
  4. Book chapters
  5. Conference papers
  6. Reports

Academic literature on the topic 'Drug design'

Author: Grafiati
Published: 4 June 2021
Last updated: 25 July 2025

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Journal articles on the topic "Drug design"

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James, Keith. "Drug design." Nature 359, no. 6394 (1992): 458. http://dx.doi.org/10.1038/359458a0.

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Garepally, Prasad, Swathi Goli, and Vijay Kumar Bontha. "Design, Development and Characterizations of Acyclovir Osmotic Tablets." Pharmaceutics and Pharmacology Research 1, no. 1 (2018): 01–14. http://dx.doi.org/10.31579/2693-7247/005.

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Oral drug delivery is the most widely utilized route of administration, among all the routes of administration. That has been explored for the systemic delivery drug through different pharmaceutical dosage forms. It can be said that at least 90%of all drugs used to produce systemic effect is by oral route. Conventional oral drug delivery systems are known to provide an immediate release of drug, in which one cannot control the release of the drug and effective concentration at the target site.
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Takayanagl, Issei. "Drug receptors and drug design." Japanese Journal of Pharmacology 67 (1995): 45. http://dx.doi.org/10.1016/s0021-5198(19)46150-7.

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Sharma, Anu, Lalubhai Jangid, Nusrat Shaikh, and Jitendra Bhangale. "Computer-Aided Drug Design Boon in Drug Discovery." Asian Journal of Organic & Medicinal Chemistry 7, no. 1 (2022): 55–64. http://dx.doi.org/10.14233/ajomc.2022.ajomc-p361.

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An innovative sequential step of detecting new medicines or drugs dependent on the information of a target is called drug design. The drug is a small molecule that alters the capacity of a bimolecular, example, protein, receptor or catalyst that leads to restorative incentive for patients. Designing of drug by computational method helped steady use of computational science to find, improve and study drugs as well as biologically related active molecules. The displaying examines like the structure-based plan; ligand-based drugs structure; database looking and restricting partiality dependent on
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Buchwald, Peter. "Computer-aided retrometabolic drug design: soft drugs." Expert Opinion on Drug Discovery 2, no. 7 (2007): 923–33. http://dx.doi.org/10.1517/17460441.2.7.923.

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Walsh, John S., and Gerald T. Miwa. "Bioactivation of Drugs: Risk and Drug Design." Annual Review of Pharmacology and Toxicology 51, no. 1 (2011): 145–67. http://dx.doi.org/10.1146/annurev-pharmtox-010510-100514.

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Takayanagi, Issei. "Drug receptor mechanisms and drug design." Japanese Journal of Pharmacology 73 (1997): 4. http://dx.doi.org/10.1016/s0021-5198(19)33785-0.

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Cooper, Kelvin. "Drug-receptor interactions and drug design." Trends in Pharmacological Sciences 9, no. 2 (1988): 51. http://dx.doi.org/10.1016/0165-6147(88)90115-0.

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Barakat, Khaled H., Michael Houghton, D. Lorne Tyrrel, and Jack A. Tuszynski. "Rational Drug Design." International Journal of Computational Models and Algorithms in Medicine 4, no. 1 (2014): 59–85. http://dx.doi.org/10.4018/ijcmam.2014010104.

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For the past three decades rationale drug design (RDD) has been developing as an innovative, rapid and successful way to discover new drug candidates. Many strategies have been followed and several targets with diverse structures and different biological roles have been investigated. Despite the variety of computational tools available, one can broadly divide them into two major classes that can be adopted either separately or in combination. The first class involves structure-based drug design, when the target's 3-dimensional structure is available or it can be computationally generated using
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Cohen, F. E. "Structural Drug Design." Science 261, no. 5122 (1993): 773. http://dx.doi.org/10.1126/science.261.5122.773.

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Dissertations / Theses on the topic "Drug design"

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Attardo, Giorgio G. (Giorgio Giovanni). "Drug design and synthesis of novel heteroanthracycline antitumor drugs." Thesis, McGill University, 1990. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=74641.

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Novel heteroanthracycline antitumor drugs were designed based on structure activity relationship studies and known mechanisms of drug action. Their preparation required the development of a general synthetic approach.<br>After extensive studies, three methodologies were developed for the general synthetic plan. The first method involved photoenolisation of 2,5-dimethoxybenzaldehyde and SO$ sb2$ entrapment of the o-quinodimethane to give 4,7-dimethoxy-1-hydroxy-1,3-dihydrobenzo(2,3-c) thiophene-2,2-dioxide. This compound served as a general intermediate towards the synthesis of several heteroan
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Clifton, Heather A. "Computational antiviral drug design." Muncie, Ind. : Ball State University, 2009. http://cardinalscholar.bsu.edu/645.

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Kandil, Sahar. "Computer aided drug design." Thesis, Cardiff University, 2009. http://orca.cf.ac.uk/55845/.

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Hepatitis C virus (HCV) chronic infection represents one of the major and still unresolved health problems. HCV infecting 3% of the world population, leading to chronic hepatitis, liver cirrhosis and hepatocellular carcinoma in addition to the extrahepatic manifestations. No efficient therapy exists; the standard dual treatment with peg IFN-alpha and ribavirin is effective only in 55% of the selected cases with substantial side effects in addition to the high cost. To date, there is no vaccine against HCV due to the high variability of the RNA genome. NS3 helicase is one of the non-structural
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Zhang, Huarui. "Design, synthesis and activity evaluation of novel exosome inhibitors." HKBU Institutional Repository, 2020. https://repository.hkbu.edu.hk/etd_oa/849.

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Background: Exosomes are extracellular vesicles (EVs) that produced in the endosomal compartment of most eukaryotic cells, and have observed increasing attentions over the past decades. They play important roles in cell- to-cell communications, they can carry varieties of substances, like proteins, nucleic acids and lipids, to the target cells they encounter. These cargos could influence the function of recipient cells. This novel mode of intercellular communication is found to be of critical importance to many cellular activities. However, exosomes are involved in various diseases processes.
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Ma, Haiqiu. "The formulation, manufacture and evaluation of capsules containing freeze-dried aqueous extracts of Leonotis Leonorus or Mentha Longifolia." Thesis, University of the Western Cape, 2006. http://etd.uwc.ac.za/index.php?module=etd&action=viewtitle&id=gen8Srv25Nme4_3777_1181559333.

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<p>Leonotis leonorus and Mentha longifolia are two herbs commonly used in South Africa, mostly in oral liquid dosage forms. Several disadvantages are associated with these traditional dosage forms which can perhaps be remedied by using an appropriate oral solid dosage form, provided the actual plant material in the latter still resemble, as closely as possible, the traditionally used material and provide products of suitable pharmaceutical quality. The objectives of this study were to prepare and evaluate the pharmaceutical suitability of the freeze-dried aqueous extracts of Leonotis Leonorus
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Remez, Vinogradov Nikita 1985. "Drug design at biological systems level." Doctoral thesis, Universitat Pompeu Fabra, 2016. http://hdl.handle.net/10803/396352.

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The explosion of reductionist approaches at the end of the XXth century allowed for fast and high-throughput data collection in pharmaceutical industry, but did not deliver the expected gain in drug discovery performance. Omics methodologies were able to provide large amounts of information on one-to-one cause-effect relationships, but could not explain some of the complex effects in living organisms and biological systems in general. This Thesis, performed in the premises of an emerging biotech company, represents an attempt to explore the impact of an integrative systems approach to
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Scott, Richard Kennedy. "Protein modelling and associated drug design." Thesis, University of Newcastle Upon Tyne, 1993. http://hdl.handle.net/10443/523.

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Part one covers an investigation into the secondary and tertiary structure of the protein Xylanase found in Pseudomonasfluorescens subspecies cellulosa. Part two documents the Computer Aided Design of Novel Quinazoline Antifolates for the enzyme Thyrnidylate Synthase. Partone Mature Xylanase protein consists of two distinct regions - a cellulose binding domain and a catalytic region, A and B respectively. Computer modelling of tertiary structure from primary sequence and secondary turn information proved difficult in the absence of experimental X-ray crystal data. Consequently,a series of modi
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Gustafsson, Jörgen. "Synthesis of cyclohexenedicarbaldehydes and studies of their biologic activity." Lund : Organic Chemistry 2, Lund Institute of Technology, University of Lund, 1994. http://books.google.com/books?id=ULpqAAAAMAAJ.

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Moorad, Razia. "Computer-aided drug design and the biological evaluation of anti-cancer drugs." Doctoral thesis, University of Cape Town, 2016. http://hdl.handle.net/11427/20715.

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Computer-aided drug design has become a promising alternative to high-throughput screening by identifying potential hits in silico for in vitro evaluation. In this study a combination of ligand-based and structure-based virtual screening was performed to identify in silico hits. This was based on finding similar inhibitors to 6-amino-4-(4-phenoxyphenylethylamino) quinazoline, a potent inhibitor of the Nuclear Factor kappa B (NF-κB), a transcription factor that has a pivotal role in cancer survival and Pentamidine, an anti-parasitic drug that has recently been demonstrated to possess tumour-kil
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IACUZZI, VALENTINA. "Design of detection systems for the therapeutic drug monitoring of anticancer drugs." Doctoral thesis, Università degli Studi di Trieste, 2020. http://hdl.handle.net/11368/2967986.

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Considerato che la maggior parte dei farmaci antitumorali risulta caratterizzata da un'alta variabilità interindividuale nelle concentrazioni plasmatiche, che si riflette sull'efficacia del trattamento, durante il progetto di dottorato qui descritto sono state sviluppate tecniche per il loro monitoraggio terapeutico (TDM). In primo luogo, è stato sviluppato, validato e cross-validato un metodo LC-MS/MS per la quantificazione di imatinib (IMA) e del suo metabolita attivo, norimatinib (norIMA), in pazienti affetti da tumore stromale gastrointestinale utilizzando la tecnica del dried blood spot (
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Books on the topic "Drug design"

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Flower, Darren R., ed. Drug Design. Royal Society of Chemistry, 2002. http://dx.doi.org/10.1039/9781847550705.

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Merz, Kenneth M., Dagmar Ringe, and Charles H. Reynolds, eds. Drug Design. Cambridge University Press, 2009. http://dx.doi.org/10.1017/cbo9780511730412.

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Klebe, Gerhard. Drug Design. Springer Berlin Heidelberg, 2024. https://doi.org/10.1007/978-3-662-68998-1.

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Kumar Gupta, Girish, and Vinod Kumar, eds. Chemical Drug Design. De Gruyter, 2016. http://dx.doi.org/10.1515/9783110368826.

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Truhlar, Donald G., W. Jeffrey Howe, Anthony J. Hopfinger, Jeff Blaney, and Richard A. Dammkoehler, eds. Rational Drug Design. Springer New York, 1999. http://dx.doi.org/10.1007/978-1-4612-1480-9.

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Zheng, Yi, ed. Rational Drug Design. Humana Press, 2012. http://dx.doi.org/10.1007/978-1-62703-008-3.

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Klyosov, Anatole A., Zbigniew J. Witczak, and David Platt, eds. Carbohydrate Drug Design. American Chemical Society, 2006. http://dx.doi.org/10.1021/bk-2006-0932.

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Banting, Lee, and Tim Clark, eds. Drug Design Strategies. Royal Society of Chemistry, 2012. http://dx.doi.org/10.1039/9781849733403.

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Livingstone, David J., and Andrew M. Davis, eds. Drug Design Strategies. Royal Society of Chemistry, 2011. http://dx.doi.org/10.1039/9781849733410.

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Mavromoustakos, Thomas, and Tahsin F. Kellici, eds. Rational Drug Design. Springer New York, 2018. http://dx.doi.org/10.1007/978-1-4939-8630-9.

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Book chapters on the topic "Drug design"

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Folkers, Gerd, Elvan Kut, and Martin Boyer. "Drug Design: Designer Drugs." In X.media.publishing. Springer Berlin Heidelberg, 2010. http://dx.doi.org/10.1007/978-3-540-69002-3_5.

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Kempe, Tomas G. "Drug Design." In Insect Neurochemistry and Neurophysiology · 1989 ·. Humana Press, 1990. http://dx.doi.org/10.1007/978-1-4612-4512-4_5.

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Baldwin, John J. "Drug Design." In Drug Discovery and Development. Humana Press, 1987. http://dx.doi.org/10.1007/978-1-4612-4828-6_2.

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Duhé, Roy J. "Drug Design." In Encyclopedia of Cancer. Springer Berlin Heidelberg, 2014. http://dx.doi.org/10.1007/978-3-642-27841-9_1735-3.

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Duhé, Roy J. "Drug Design." In Encyclopedia of Cancer. Springer Berlin Heidelberg, 2014. http://dx.doi.org/10.1007/978-3-662-46875-3_1735.

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Betzel, Christian, and Arayik Martirosyan. "Drug Design." In Biotechnology in Space. Springer International Publishing, 2017. http://dx.doi.org/10.1007/978-3-319-64054-9_4.

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Duhé, Roy J. "Drug Design." In Encyclopedia of Cancer. Springer Berlin Heidelberg, 2011. http://dx.doi.org/10.1007/978-3-642-16483-5_1735.

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Klebe, Gerhard. "Drug Research: Yesterday, Today, and Tomorrow." In Drug Design. Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-17907-5_1.

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Klebe, Gerhard. "Peptidomimetics." In Drug Design. Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-17907-5_10.

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Klebe, Gerhard. "Combinatorics: Chemistry with Big Numbers." In Drug Design. Springer Berlin Heidelberg, 2013. http://dx.doi.org/10.1007/978-3-642-17907-5_11.

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Conference papers on the topic "Drug design"

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Zhou, Tie Hua, Zheng Yang Zhang, Ling Wang, and Xi Wei Wang. "3D Molecular Docking Study of Drug-Drug Interactions Between Antidepressants and Immunosuppressive Drugs." In 2025 28th International Conference on Computer Supported Cooperative Work in Design (CSCWD). IEEE, 2025. https://doi.org/10.1109/cscwd64889.2025.11033536.

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Hu, Chenhui, Kun Li, Longtao Hu, Yida Xiong, Xiantao Cai, and Wenbin Hu. "Collaborative Drug Design Based on A Drug-Drug Interaction-Guided Diffusion Model." In 2025 28th International Conference on Computer Supported Cooperative Work in Design (CSCWD). IEEE, 2025. https://doi.org/10.1109/cscwd64889.2025.11033225.

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Quraishi, Aadam, Ali Hamid AbdulHussein, Maki Mahdi Abdulhasan, Ahmed Shihab Ahmed, Adnan Allawi Ftaiet, and Bhavani Prasad Kasaraneni. "Computer Aided Drug Design for Enhanced Drug Discovery and Development Processes." In 2025 4th OPJU International Technology Conference (OTCON) on Smart Computing for Innovation and Advancement in Industry 5.0. IEEE, 2025. https://doi.org/10.1109/otcon65728.2025.11070716.

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Narkhede, Ekta, Bharti Ingle, Purva Pandey, et al. "Future of Drug Design and Reinforcement Learning." In 2024 International Conference on Cybernation and Computation (CYBERCOM). IEEE, 2024. https://doi.org/10.1109/cybercom63683.2024.10803201.

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Rautiola, Davin, and Ronald A. Siegel. "Nasal Spray Device for Administration of Two-Part Drug Formulations." In 2019 Design of Medical Devices Conference. American Society of Mechanical Engineers, 2019. http://dx.doi.org/10.1115/dmd2019-3216.

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Intranasal drug delivery is an attractive route to noninvasively achieve a rapid therapeutic effect, avoid first pass metabolism, and bypass the blood brain barrier. However, the types of drugs that can be administered by this route has been limited, in part, by device technology. Herein, we describe a pneumatic nasal spray device that is capable of mixing liquid and solid components of a drug formulation as part of the actuation process during dose administration. The ability to store a nasal spray drug formulation as two separate components can be leveraged to solve a variety of stability is
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Lee, Jae-Hwan, and Ramana M. Pidaparti. "An Implantable Device Design Concept for Ocular Drug Delivery." In ASME 2012 Summer Bioengineering Conference. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/sbc2012-80176.

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New drugs for curing eye diseases have been developing for a decade and are very unique for each eye diseases such as glaucoma, cataracts, and age-related macular degeneration (AMD). It is estimated that 1.6 million adults in the US over the age of 50 and above suffer from age-related macular degeneration and about 200,000 cases are diagnosed annually. Worldwide, about 500,000 cases are diagnosed annually [1]. Drugs currently utilized for AMD are delivered via repeated intravitreal injections of the drug into the eye. Risks of repeated intravitreal injections can include intraocular infections
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Liu, Yihui, and Uwe Aickelin. "Detect Adverse Drug Reactions for Drug Atorvastatin." In 2012 5th International Symposium on Computational Intelligence and Design (ISCID). IEEE, 2012. http://dx.doi.org/10.1109/iscid.2012.61.

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Yi, Xiaole. "Drug development and drug design for hepatocellular carcinoma." In Third International Conference on Biological Engineering and Medical Science (ICBioMed2023), edited by Alan Wang. SPIE, 2024. http://dx.doi.org/10.1117/12.3013166.

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Ringe, Dagmar. "Challenges of Drug Design." In BCB '17: 8th ACM International Conference on Bioinformatics, Computational Biology, and Health Informatics. ACM, 2017. http://dx.doi.org/10.1145/3107411.3107464.

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Folkers, Gerd, Amrei Wittwer, Carlos Granja, Claude Leroy, and Ivan Stekl. "Drug Design and Emotion." In Nuclear Physics Medthods and Accelerators in Biology and Medicine. AIP, 2007. http://dx.doi.org/10.1063/1.2825830.

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Reports on the topic "Drug design"

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Anderson, Burt, Richard Heller, Ed Turos, and Mark Mclaughlin. Drug Discovery, Design and Delivery. Defense Technical Information Center, 2012. http://dx.doi.org/10.21236/ada563482.

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Marks, James. Structural Basis of EGFR Dimerization for Drug Design. Defense Technical Information Center, 2000. http://dx.doi.org/10.21236/ada396569.

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Gaynor, Martin, Jian Li, and William Vogt. Is Drug Coverage a Free Lunch? Cross-Price Elasticities and the Design of Prescription Drug Benefits. National Bureau of Economic Research, 2006. http://dx.doi.org/10.3386/w12758.

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Avery, Mitchell A. Directed Synthesis of New Antimalarials Using Computer Aided Drug Design. Defense Technical Information Center, 1995. http://dx.doi.org/10.21236/ada303867.

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Avery, Mitchell A. Directed Synthesis of New Antimalarials using Computer Aided Drug Design. Defense Technical Information Center, 1995. http://dx.doi.org/10.21236/ada304919.

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Nilmeier, J., J. Fattebert, M. Jacobson, and C. Kalyanaraman. Quantum mechanical approaches to in silico enzyme characterization and drug design. Office of Scientific and Technical Information (OSTI), 2012. http://dx.doi.org/10.2172/1034511.

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Montal, Mauricio. Combinatorial Strategies and Hypothesis-Based Drug Design in Drug Discovery Targeted to the Protease and Channel Activities of Botulinum Toxin A. Defense Technical Information Center, 2002. http://dx.doi.org/10.21236/ada400463.

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Crown, William, Ernst Berndt, Onur Baser, Stan Finkelstein, and Whitney Witt. Benefit Plan Design and Prescription Drug Utilization Among Asthmatics: Do Patient Copayments Matter? National Bureau of Economic Research, 2003. http://dx.doi.org/10.3386/w10062.

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Boaden, Dr Bill. Syringe labelling in anaesthesia and critical care areas: review 2022. Association of Anaesthetists of Great Britain and Ireland, 2022. http://dx.doi.org/10.21466/g.sliaacc.2022.

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This document replaces the Association of Anaesthetists’ previous guidance1 on this topic, following the publication of BS ISO 26825:2020. BS ISO 26825:2020 is the second edition of the standard for user-applied labels for syringes containing drugs used in anaesthesia. It technically revises, cancels and replaces the 2008 first edition. It gives requirements for labels attached to syringes so that the contents can be identified during anaesthesia and covers the colour, size, design and general properties of the label and the typographical characteristics of the wording for the drug name. Its p
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Zhang, Cheng, and Yue Yang. Impact of adaptive design on reducing the duration of clinical trials in rare cancers: a meta-analysis. INPLASY - International Platform of Registered Systematic Review and Meta-analysis Protocols, 2022. http://dx.doi.org/10.37766/inplasy2022.2.0081.

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Review question / Objective: Whether the application of adaptive design in clinical trials of rare cancers can shorten the duration of clinical trials? Condition being studied: Currently, the development of innovative drug products (InMPs) for rare cancers faces many challenges, including the difficulty of enrolling sufficient numbers of patients from small and heterogeneous patient populations for clinical trials, and the significant risks of high financial investment, long development times and potential failure from a pharmaceutical company's perspective for rare cancer drugs due to limited
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