Deep graph contrastive learning model for drug-drug interaction prediction by Jiang, Zhenyu, Gong, Zhi, Dai, Xiaopeng, Zhang, Hongyan, Ding, Pingjian, Shen, Cong

“…The existing methods often do not fully explore the relationship between the structural information and the functional information of drug molecules, resulting in low prediction accuracy for drug interactions, poor generalization, and other issues. …”
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Liposomal encapsulation of pro-NO donor drug by Koh, Cheryl Jie Yan

“…In-vitro release study conducted using Phosphate buffered saline solution found that the drug was not fully encapsulated in the core of the liposomes, resulting in complete release of nitric oxide within a day. …”
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Nanosized silica particles for achiral drug separation by Tan, Timothy Thatt Yang.

“…It is widely recognized that the full potential of rapid chromatography can be realized with very small support particulates and tailor-made chiral stationary phase. …”
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18F-labelling of new chemotypes for drug discovery by Khotavivattana, T

“…Finally, Chapter 5 gives full experimental procedures and characterisation data for all compounds.…”

Amplifying signals in the tumor microenvironment for drug development and diagnostics by Martin Alonso, Maria Carmen

“…Leveraging advancements in high throughput screening and in deep learning, we contribute important tools for the effective design of conditional drugs that require the cleavage of a protease substrate to unleash drug cytotoxicity. …”
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Development of biomimetic 3D cancer platform for drug testing by Ker, Sia Fong

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Dynamic drug combination methods for suppressing bacterial antibiotics resistance adaptation by Bhone, Myint Kyaw

“…It is resistant to many drugs and the glycopeptide vancomycin is the only available antibiotic that is active against MRSA infections. …”
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Controlled-release nanoencapsulating microcapsules to combat inflammatory diseases by Baek, Jong-Suep, Yeo, Eng Wan, Lee, Yin Hao, Tan, Nguan Soon, Loo, Say Chye Joachim

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Functional genomics reveals an off-target dependency of drug synergy in gastric cancer therapy by Leylek, Ozen, Honeywell, Megan E., Lee, Michael J., Hemann, Michael T., Ozcan, Gulnihal

“…However, realizing the full potential of this approach requires a clear comprehension of the genetic dependencies underlying drug synergy. …”
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Evaluation of paper spray mass spectrometry for direct analysis of small molecule drugs and hemoglobin constant spring peptide markers by Takyi-Williams, John

“…The studies described in this thesis were undertaken to evaluate the application of paper spray mass spectrometry for direct analysis of small molecule drugs and biomarker in dried matrix spot samples. …”
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AI is a viable alternative to high throughput screening: a 318-target study by Wallach, Izhar, Bernard, Denzil, Nguyen, Kong, Ho, Gregory, Morrison, Adrian, Stecula, Adrian, Rosnik, Andreana, O’Sullivan, Ann Marie, Davtyan, Aram, Samudio, Ben, Thomas, Bill, Worley, Brad, Butler, Brittany, Laggner, Christian, Thayer, Desiree, Moharreri, Ehsan, Friedland, Greg, Truong, Ha, van den Bedem, Henry, Ng, Ho Leung, Stafford, Kate, Sarangapani, Krishna, Giesler, Kyle, Ngo, Lien, Mysinger, Michael, Ahmed, Mostafa, Anthis, Nicholas J., Henriksen, Niel, Gniewek, Pawel, Eckert, Sam, de Oliveira, Saulo, Suterwala, Shabbir, PrasadPrasad, Srimukh Veccham Krishna, Shek, Stefani, Contreras, Stephanie, Hare, Stephanie, Palazzo, Teresa, O’Brien, Terrence E., Van Grack, Tessa, Williams, Tiffany, Chern, Ting-Rong, Kenyon, Victor, Lee, Andreia H., Cann, Andrew B., Bergman, Bastiaan, Anderson, Brandon M., Cox, Bryan D., Warrington, Jeffrey M., Sorenson, Jon M., Goldenberg, Joshua M., Young, Matthew A., DeHaan, Nicholas, Pemberton, Ryan P., Schroedl, Stefan, Abramyan, Tigran M., Gupta, Tushita, Mysore, Venkatesh, Presser, Adam G., Ferrando, Adolfo A., Andricopulo, Adriano D., Ghosh, Agnidipta, Ayachi, Aicha Gharbi, Mushtaq, Aisha, Shaqra, Ala M., Toh, Alan Kie Leong, Smrcka, Alan V., Ciccia, Alberto, de Oliveira, Aldo Sena, Sverzhinsky, Aleksandr, de Sousa, Alessandra Mara, Agoulnik, Alexander I., Kushnir, Alexander, Freiberg, Alexander N., Statsyuk, Alexander V., Gingras, Alexandre R., Degterev, Alexei, Tomilov, Alexey, Vrielink, Alice, Garaeva, Alisa A., Bryant-Friedrich, Amanda, Caflisch, Amedeo, Patel, Amit K., Rangarajan, Amith Vikram, Matheeussen, An, Battistoni, Andrea, Caporali, Andrea, Chini, Andrea, Ilari, Andrea, Mattevi, Andrea, Foote, Andrea Talbot, Trabocchi, Andrea, Stahl, Andreas, Herr, Andrew B., Berti, Andrew, Freywald, Andrew, Reidenbach, Andrew G., Lam, Andrew, Cuddihy, Andrew R., White, Andrew, Taglialatela, Angelo

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Interfacial phenomena and biological recognition of mammalian cells on biomimetic materials by Chan, Vincent.

“…Our work has been mainly focused on the elucidation of bio-interfacial phenomena that are involved in cell therapeutics device and drug delivery systems. However, it is currently impossible to fully engineer cellular processes from the first principle based on molecular interactions due to gap between biology and nanotechology. …”
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Modular Titratable Polypills for Personalized Medicine and Simplification of Complex Medication Regimens by Karavasili, Christina, Babaee, Sahab, Kutty, Shruti, Chu, Jacqueline N., Min, Seokkee, Fitzgerald, Nina, Morimoto, Joshua, Inverardi, Nicoletta, Traverso, Giovanni

“…To fill the existing gap in drug dose personalization and simplification of complex medication regimens commonly encountered in the treatment of cardiovascular disease, tuberculosis, and tapering of corticosteroid therapy, a modular titratable polypill approach that simultaneously addresses both aspects is proposed. …”
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Graphene oxide nanoplatelets potentiate anticancer effect of cisplatin in human lung cancer cells by Nur Farhanah Rosli, Fojtů, Michaela, Fisher, Adrian C., Pumera, Martin

“…However, despite vast research on GO, anticancer properties and drug carrier capabilities of graphene oxide nanoplatelets have yet to be fully explored. …”
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Modern Techniques in Biosensors : Detection Methods and Commercial Aspects / by Dutta, Gorachand, editor 643095, Biswas, Arindam, editor 643096, Chakrabarti, Amlan, editor 643097

Investigation of Synthetic Proteins Produced via Automated Fast-Flow Peptide Synthesis by Cowfer, Amanda Elizabeth

“…I will discuss the iterative steps my team took to vary both chemical and mechanical and control variables to improve per-coupling yield enough to enable access to full-length single-domain proteins. On this journey, we utilized test peptides to validate synthesis quality and later synthesized a suite of full-length single-domain biologically active proteins. …”
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A P450BM3 toolkit For C-H activation synthesis by Ren, X

“…Successful applications include drug metabolism, drug fragment diversification, synthesis of flavour and fragrance compounds, steroid oxidation, late-stage functionalisation in total synthesis, and C–H amination. …”

Fragmenstein: predicting protein–ligand structures of compounds derived from known crystallographic fragment hits using a strict conserved-binding–based methodology by Ferla, MP, Sánchez-García, R, Skyner, RE, Gahbauer, S, Taylor, JC, von Delft, F, Marsden, BD, Deane, CM

“…Current strategies centred on either merging or linking initial hits from fragment-based drug design (FBDD) crystallographic screens generally do not fully leaverage 3D structural information. …”

Doxorubicin-loaded cell-derived nanovesicles: an alternative targeted approach for anti-tumor therapy by Goh, Wei Jiang, Lee, Choon Keong, Zou, Shui, Woon, Esther, Czarny, Bertrand, Pastorin, Giorgia

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Understanding the viral protein structures of clinically relevant arboviruses and fragment-based screening for antivirals by Farhana Abu Bakar

“…In recent years, antiviral drug discovery has increasingly relied on the use of high-resolution structural information of important viral proteins and have led to the development of potent inhibitors. …”
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