Готові списки джерел за темами / Protein-drug binding

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Добірка наукової літератури з теми "Protein-drug binding"

Автор: Grafiati
Опубліковано: 6 червня 2025
Оновлено: 25 липня 2025

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Статті в журналах з теми "Protein-drug binding"

1

MacKichan, Janis J. "Protein Binding Drug Displacement Interactions." Clinical Pharmacokinetics 16, no. 2 (1989): 65–73. http://dx.doi.org/10.2165/00003088-198916020-00001.

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2

Bitencourt-Ferreira, Gabriela, and Walter Filgueira de Azevedo Junior. "Electrostatic Potential Energy in Protein-Drug Complexes." Current Medicinal Chemistry 28, no. 24 (2021): 4954–71. http://dx.doi.org/10.2174/0929867328666210201150842.

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Background: Electrostatic interactions are one of the forces guiding the binding of molecules to proteins. The assessment of this interaction through computational approaches makes it possible to evaluate the energy of protein-drug complexes. Objective: Our purpose here is to review some the of methods used to calculate the electrostatic energy of protein-drug complexes and explore the capacity of these approaches for the generation of new computational tools for drug discovery using the abstraction of scoring function space. Method: Here we present an overview of AutoDock4 semi-empirical scor
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3

Schneider, Elena K., Johnny X. Huang, Vincenzo Carbone, et al. "Drug-drug plasma protein binding interactions of ivacaftor." Journal of Molecular Recognition 28, no. 6 (2015): 339–48. http://dx.doi.org/10.1002/jmr.2447.

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4

Shin, Koichi, and Hideyo Katsunuma. "Drug-protein binding in elderly subjects." Nippon Ronen Igakkai Zasshi. Japanese Journal of Geriatrics 26, no. 5 (1989): 481–88. http://dx.doi.org/10.3143/geriatrics.26.481.

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Sebille, B. "Methods of drug protein binding determinations." Fundamental & Clinical Pharmacology 4, S2 (1990): 151s—161s. http://dx.doi.org/10.1111/j.1472-8206.1990.tb00073.x.

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Tanoori, Betsabeh, and Mansoor Zolghadri Jahromi. "Using drug-drug and protein-protein similarities as feature vector for drug-target binding prediction." Chemometrics and Intelligent Laboratory Systems 217 (October 2021): 104405. http://dx.doi.org/10.1016/j.chemolab.2021.104405.

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7

DALE, OLA, and ODD G. NILSEN. "Volatile Anesthetics and Drug Serum Protein Binding." Anesthesiology 66, no. 5 (1987): 709. http://dx.doi.org/10.1097/00000542-198705000-00033.

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8

Colclough, Nicola, Linette Ruston, J. Matthew Wood, and Philip A. MacFaul. "Species differences in drug plasma protein binding." Med. Chem. Commun. 5, no. 7 (2014): 963–67. http://dx.doi.org/10.1039/c4md00148f.

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Анотація:
Comparison of the human plasma protein binding data for a variety of drug discovery compounds indicates that compounds tend to be slightly more bound to human plasma proteins, than compared to plasma proteins from rats, dogs or mice.
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KAMINOI, KIMIO. "Assay of protein binding bioactive drug metabolites." Rinsho yakuri/Japanese Journal of Clinical Pharmacology and Therapeutics 19, no. 1 (1988): 353–55. http://dx.doi.org/10.3999/jscpt.19.353.

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10

Wan, Hong, and Fredrik Bergström. "High Throughput Screening of Drug‐Protein Binding in Drug Discovery." Journal of Liquid Chromatography & Related Technologies 30, no. 5-7 (2007): 681–700. http://dx.doi.org/10.1080/10826070701190989.

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Дисертації з теми "Protein-drug binding"

1

Talbert, Ann Marie. "Drug protein binding kinetics from chromatographic profiles." Thesis, Imperial College London, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.406921.

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2

Haupt, Joachim. "Protein Binding Site Similarities as Driver for Drug Repositioning." Doctoral thesis, Saechsische Landesbibliothek- Staats- und Universitaetsbibliothek Dresden, 2014. http://nbn-resolving.de/urn:nbn:de:bsz:14-qucosa-144517.

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Drug repositioning applies existing drugs to new disease indications. A prerequisite for drug repurposing is drug promiscuity - a drug's ability to bind to several targets, possibly leading to side effects on the other hand. One reason for drug promiscuity is binding site similarity between (otherwise unrelated) proteins. In this thesis, a new algorithm for remote binding site similarity assessment and its application to the whole of the Protein Data Bank (PDB) is presented, forming the base for off-target identification and drug repositioning. The present thesis contributes to a long-standin
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3

Si, Chao. "Theoretical Study of Intermolecular Interactions in Protein-Drug Binding and Protein Folding." University of Toledo / OhioLINK, 2012. http://rave.ohiolink.edu/etdc/view?acc_num=toledo1341632548.

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4

Doudou, Slimane. "Computational modelling of protein-ligand binding : steps towards better drug design." Thesis, University of Manchester, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.498949.

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5

Evans, Matthew Darold. "Drug candidate discovery by high-throughput virtual screening of protein binding sites /." Diss., Digital Dissertations Database. Restricted to UC campuses, 2006. http://uclibs.org/PID/11984.

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6

Chi, Celestine. "Post-synaptic Density Disc Large Zo-1 (PDZ) Domains : From Folding and Binding to Drug Targeting." Doctoral thesis, Uppsala universitet, Institutionen för medicinsk biokemi och mikrobiologi, 2010. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-126129.

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Анотація:
Understanding how proteins fold and bind is interesting since these processes are central to most biological activity. Protein folding and protein-protein interaction are by themselves very complex but using a good and robust system to study them could ease some of the hurdles. In this thesis I have tried to answer some of the fundamental questions of protein folding and binding. I chose to work with PDZ domains, which are protein domains consisting of 90-100 amino acids. They are found in more than 400 human proteins and function mostly as protein-protein interaction units. These proteins are
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7

Elyas, Abdulmajid Ahmed. "'In vitro' microdialysis : its validation and use to study antieleptic drug protein binding." Thesis, Open University, 2005. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.422031.

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8

Schmidtke, Peter. "Protein-ligand binding sites. Identification, characterization and interrelations." Doctoral thesis, Universitat de Barcelona, 2011. http://hdl.handle.net/10803/51340.

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Анотація:
El trabajo presentado en esta tesis cubre varios campos de investigación relacionados con el desarrollo de moléculas bioactivas. Se compone de cinco partes distintas que se resumen aquí. Predicción de la utilidad farmacológica de dianas terapéuticas. El desarrollo de fármacos está generalmente dirigido a inhibir la función de una proteína específica. Pero para validar esta proteína como diana terapéutica, al principio de un proyecto de descubrimiento de fármacos se tiene que saber si una molécula de tipo fármaco puede unirse con suficiente afinidad a la proteína como para alterar su func
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9

Singh, Devanshi. "Non-covalent and macromolecular approaches to study protein binding, drug delivery and artificial blood." Thesis, University of Sheffield, 2018. http://etheses.whiterose.ac.uk/22376/.

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To begin with, macromolecules consisting of poly(amido)amine dendrimers(PAMAM), polyglycidol, hyperbranched poly(amido)amine (HYPAM) were synthesized and characterized extensively. Porphyrins were also synthesized, characterized and modified in line with respective studies. Hereafter, surface modified TRIS PAMAM dendrimers and its analogs (hyperbranched polymers, hyperbranched PAMAMs) as potential drug delivery systems were studied with the use of model drugs (Ibuprofen and Porphyrin). Analogs of the model drugs were used to investigate the role of secondary interactions for high drug loading(
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Callan, Hayley Elizabeth. "Proteomic analysis of drug-metabolite protein binding and the functional consequences of adduct formation." Thesis, University of Liverpool, 2010. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.539609.

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Книги з теми "Protein-drug binding"

1

Symposium, Fundación Dr Antonio Esteve. Drug-protein binding. Praeger, 1986.

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2

Symposium, Esteve Foundation. Drug-protein binding. Praeger, 1985.

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3

1934-, Reidenberg M. M., and Erill Sergio, eds. Drug-protein binding. Praeger, 1985.

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4

Joseph Johannes Hermanus Maria Lohman. Plasma protein binding of drugs: Implications for therapeutic drug monitoring. [s.n.], 1986.

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5

P, Davenport Anthony, ed. Receptor binding techniques. 2nd ed. Humana Press, 2005.

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6

N, Khan Masood, and Findlay John W. A, eds. Ligand-binding assays: Development, validation, and implementation in the drug development arena. Wiley, 2009.

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7

Giralt, Ernest, Mark Peczuh, and Xavier Salvatella. Protein surface recognition: Approaches for drug discovery. John Wiley & Sons, 2011.

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8

Jean-Paul, Tillement, and Lindenlaub E, eds. Protein binding and drug transport: Symposium Alvor, Algarve, Portugal, 24th-28th September, 1985. F.K. Schattauer Verlag, 1986.

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9

N, Khan Masood, and Findlay John W. A, eds. Ligand-binding assays: Development, validation, and implementation in the drug development arena. Wiley, 2010.

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10

Robert, Rein, and Golombek Amram, eds. Computer-assisted modeling of receptor-ligand interactions: Theoretical aspects and applications to drug design : proceedings of the 1988 OHOLO Conference held in Eilat, Israel, April 24-28, 1988. Liss, 1989.

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Частини книг з теми "Protein-drug binding"

1

van Brandt, N., and P. Hantson. "Pharmacokinetics and Drug-Protein Binding." In Yearbook of Intensive Care and Emergency Medicine. Springer Berlin Heidelberg, 1996. http://dx.doi.org/10.1007/978-3-642-80053-5_62.

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Wenlock, Mark C., and Philip Butler. "Plasma Protein Binding Drug Interactions." In The ADME Encyclopedia. Springer International Publishing, 2022. http://dx.doi.org/10.1007/978-3-030-84860-6_88.

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Wenlock, Mark C., and Philip Butler. "Plasma Protein Binding Drug Interactions." In The ADME Encyclopedia. Springer International Publishing, 2021. http://dx.doi.org/10.1007/978-3-030-51519-5_88-1.

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4

Cohen, Lucinda H. "Plasma Protein-Binding Methods in Drug Discovery." In Optimization in Drug Discovery. Humana Press, 2004. http://dx.doi.org/10.1385/1-59259-800-5:111.

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Kalamaridis, Dennis, and Nayan Patel. "Assessment of Drug Plasma Protein Binding in Drug Discovery." In Methods in Pharmacology and Toxicology. Humana Press, 2013. http://dx.doi.org/10.1007/978-1-62703-742-6_2.

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Kumar, Neeraj, and Anish Narang. "Variational Inference Driven Drug Protein Binding Prediction." In Information Systems and Technologies. Springer Nature Switzerland, 2024. http://dx.doi.org/10.1007/978-3-031-45648-0_44.

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Perucca, Emilio, and Alan Richens. "Interpretation of Drug Levels: Relevance of Plasma Protein Binding." In Ciba Foundation Symposium 74 - Drug Concentrations in Neuropsychiatry. John Wiley & Sons, Ltd., 2008. http://dx.doi.org/10.1002/9780470720578.ch4.

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Guo, Dong, Adriaan P. IJzerman, and Laura H. Heitman. "Importance of Drug-Target Residence Time at G Protein-Coupled Receptors - a Case for the Adenosine Receptors." In Thermodynamics and Kinetics of Drug Binding. Wiley-VCH Verlag GmbH & Co. KGaA, 2015. http://dx.doi.org/10.1002/9783527673025.ch13.

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Lloyd, Tom. "Techniques for Determining Protein Binding in Drug Discovery and Development." In ADME-Enabling Technologies in Drug Design and Development. John Wiley & Sons, Inc., 2012. http://dx.doi.org/10.1002/9781118180778.ch12.

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Mukherjee, Biswajit. "Extent of Drug Absorption: Bioavailability, Clearance, Bioequivalence, and Protein Binding." In Pharmacokinetics: Basics to Applications. Springer Singapore, 2022. http://dx.doi.org/10.1007/978-981-16-8950-5_3.

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Тези доповідей конференцій з теми "Protein-drug binding"

1

Wang, Lei G. "Novel fluorophores for precision quantitative imaging." In Optical Molecular Probes, Imaging and Drug Delivery. Optica Publishing Group, 2025. https://doi.org/10.1364/omp.2025.otu3e.3.

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I will present the design and development of our water-soluble, cell-permeable fluorophores that are biologically compatible and environmentally inert, enabling accurate, quantitative imaging of intracellular drug distribution and protein binding in live cells and tissues for precision imaging applications.
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2

Domingo, L., M. Chehimi, S. Banerjee, et al. "A Hybrid Quantum-classical Fusion Neural Network to Improve Protein-ligand Binding Affinity Predictions for Drug Discovery." In 2024 IEEE International Conference on Quantum Computing and Engineering (QCE). IEEE, 2024. https://doi.org/10.1109/qce60285.2024.10265.

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3

Erdaş, Özlem, and Özge Öztimur Karadağ. "Protein-Drug Binding Analysis Using Change Detection on Binding Site Images." In 2018 Innovations in Intelligent Systems and Applications Conference (ASYU). IEEE, 2018. http://dx.doi.org/10.1109/asyu.2018.8554024.

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4

Makris, Antonios, Dimitrios Michail, Iraklis Varlamis, et al. "Parallelization of Large-Scale Drug-Protein Binding Experiments." In 2017 International Conference on High Performance Computing & Simulation (HPCS). IEEE, 2017. http://dx.doi.org/10.1109/hpcs.2017.39.

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5

Konc, Janez, and Dušanka Janežič. "Algorithms and web servers for protein binding sites detection in drug discovery." In 2nd International Conference on Chemo and BioInformatics. Institute for Information Technologies, University of Kragujevac, 2023. http://dx.doi.org/10.46793/iccbi23.014k.

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Drug discovery is a protracted and demanding process, which can be expedited during its early stages through novel mathematical approaches and modern computing. To tackle this crucial issue, we are developing fresh mathematical solutions aimed at detecting and characterizing protein binding sites, pivotal for new drug discovery. This paper introduces algorithms founded on graph theory which we have devised to scrutinize target biological proteins. These algorithms yield vital data, facilitating the optimization of initial phases in novel drug development. A particular emphasis lies in the crea
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6

RadhaMahendran, S., Akriti Dogra, Dinesh Mendhe, S. B. G. Tilak Babu, Shriniket Dixit, and Surya Pratap Singh. "Machine Learning for Drug Discovery: Predicting Drug-Protein Binding Affinities using Graph Convolutional Networks." In 2024 5th International Conference on Recent Trends in Computer Science and Technology (ICRTCST). IEEE, 2024. http://dx.doi.org/10.1109/icrtcst61793.2024.10578506.

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7

Zhijian, Lyu, Jiang Shaohua, Liang Yigao, and Gao Min. "GDGRU-DTA: Predicting Drug-Target Binding Affinity based on GNN and Double GRU." In 3rd International Conference on Data Mining and Machine Learning (DMML 2022). Academy and Industry Research Collaboration Center (AIRCC), 2022. http://dx.doi.org/10.5121/csit.2022.120703.

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The work for predicting drug and target affinity(DTA) is crucial for drug development and repurposing. In this work, we propose a novel method called GDGRU-DTA to predict the binding affinity between drugs and targets, which is based on GraphDTA, but we consider that protein sequences are long sequences, so simple CNN cannot capture the context dependencies in protein sequences well. Therefore, we improve it by interpreting the protein sequences as time series and extracting their features using Gate Recurrent Unit(GRU) and Bidirectional Gate Recurrent Unit(BiGRU). For the drug, our processing
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Kazmi, N., M. A. Hossain, and R. Phillips. "A hybrid cellular automaton model of bioreductive drug transportation with protein binding." In 5th International Conference on Software, Knowledge Information, Industrial Management and Applications (SKIMA 2011). IEEE, 2011. http://dx.doi.org/10.1109/skima.2011.6163200.

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Kralj, Sebastjan, Milan Hodošček, Marko Jukić, and Urban Bren. "A comprehensive in silico protocol for fast automated mutagenesis and binding affinity scoring of protein-ligand complexes." In 2nd International Conference on Chemo and Bioinformatics. Institute for Information Technologies, University of Kragujevac, 2023. http://dx.doi.org/10.46793/iccbi23.674k.

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Анотація:
Protein-protein interactions (PPI) are critical for cellular functions, host-pathogen dynamics and are crucial with drug design efforts. The interaction of proteins is dependent on the amino acid sequence of a protein as it determines its binding affinity to various molecules, including drugs, DNA, RNA, and proteins. Polymorphisms, natural DNA variations, affect PPIs by altering protein structure and stability. Computational chemistry is vital for the prediction of ligand-protein interactions through techniques such as docking and molecular dynamics and can elucidate the changes in energy asso
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Obradović, Darija, Milica Radan, Marija Popović-Nikolić, Slavica Oljačić, and Katarina Nikolić. "THE MOLECULAR BASIS OF DRUG-PLASMA PROTEIN INTERACTION FOR CNS ACTIVE COMPOUNDS." In 1st INTERNATIONAL Conference on Chemo and BioInformatics. Institute for Information Technologies, University of Kragujevac, 2021. http://dx.doi.org/10.46793/iccbi21.375o.

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The human serum albumin (HSA) is well known for its extraordinary binding capacity for both endogenous and exogenous compounds, including a wide range of drugs. The goal of our investigation was to evaluate the distribution process for 15 CNS active compounds. The drug-plasma protein interaction was evaluated under simulative physiological conditions on the HSA-based stationary phase by using the mixture of Sørensen phosphate buffer (pH 7.40) and acetonitrile modifier as a mobile phase (84:16 v/v). The retention parameters (k) were used to approximate the % of protein-binding by calculating th
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Звіти організацій з теми "Protein-drug binding"

1

Yedidia, I., H. Senderowitz, and A. O. Charkowski. Small molecule cocktails designed to impair virulence targets in soft rot Erwinias. United States-Israel Binational Agricultural Research and Development Fund, 2020. http://dx.doi.org/10.32747/2020.8134165.bard.

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Анотація:
Chemical signaling between beneficial or pathogenic bacteria and plants is a central factor in determining the outcome of plant-microbe interactions. Pectobacterium and Dickeya (soft rot Erwinias) are the major cause of soft rot, stem rot, and blackleg formed on potato and ornamentals, currently with no effective control. Our major aim was to establish and study specific bacterial genes/proteins as targets for anti-virulence compounds, by combining drug design tools and bioinformatics with experimental work. The approach allowed us to identify and test compounds (small molecules) that specific
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