Relevant bibliographies by topics / Ligand design

Contents

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

Academic literature on the topic 'Ligand design'

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

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Journal articles on the topic "Ligand design"

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Apostolakist, J., and A. Caflisch. "Computational Ligand Design." Combinatorial Chemistry & High Throughput Screening 2, no. 2 (1999): 91–104. http://dx.doi.org/10.2174/1386207302666220203193501.

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Abstract: A variety of computational tools that are used to assist drug design are reviewed. Particular emphasis is given to the limitations and merits of different methodologies. Recently, a number of general methods have been proposed for clustering compounds in classes of drug­ like and non-drug-like molecules. The usefulness of this classification for drug design is discussed. The estimation of (relative) binding affinities is from a theoretical point of view the most challenging part of ligand design. We review three methods for the estimation of binding energies. Firstly, quantitative st
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Caflisch, Amedeo, Rudolf Wälchli, and Claus Ehrhardt. "Computer-Aided Design of Thrombin Inhibitors." Physiology 13, no. 4 (1998): 182–89. http://dx.doi.org/10.1152/physiologyonline.1998.13.4.182.

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Computer-aided ligand design is an active, challenging, and multidisciplinary research field that blends knowledge of biochemistry, physics, and computer sciences. Whenever it is possible to experimentally determine or to model the three-dimensional structure of a pharmacologically relevant enzyme or receptor, computational approaches can be used to design specific high-affinity ligands. This article describes methods, applications, and perspectives of computer-assisted ligand design.
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Nash, Jessica A., Matthew D. Manning, Alexey V. Gulyuk, Aleksey E. Kuznetsov, and Yaroslava G. Yingling. "Gold nanoparticle design for RNA compaction." Biointerphases 17, no. 6 (2022): 061001. http://dx.doi.org/10.1116/6.0002043.

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RNA-based therapeutics hold a great promise in treating a variety of diseases. However, double-stranded RNAs (dsRNAs) are inherently unstable, highly charged, and stiff macromolecules that require a delivery vehicle. Cationic ligand functionalized gold nanoparticles (AuNPs) are able to compact nucleic acids and assist in RNA delivery. Here, we use large-scale all-atom molecular dynamics simulations to show that correlations between ligand length, metal core size, and ligand excess free volume control the ability of nanoparticles to bend dsRNA far below its persistence length. The analysis of a
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Zhang, Bihan, Jishi Chen, Yitao Cao, Osburg Jin Huang Chai, and Jianping Xie. "Ligand Design in Ligand‐Protected Gold Nanoclusters." Small 17, no. 27 (2021): 2004381. http://dx.doi.org/10.1002/smll.202004381.

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Hendrati, Diana, Erianti Siska Purnamasari, Syulastri Effendi, and Santhy Wyantuti. "Pemantapan Proses Sintesis Ligan Dibutilditiokarbamat (DBDTK) Sebagai Pengekstrak Logam Tanah Jarang Berdasarkan Desain Eksperimen." ALCHEMY Jurnal Penelitian Kimia 14, no. 2 (2018): 219. http://dx.doi.org/10.20961/alchemy.14.2.15006.219-235.

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<p>Gadolinium (Gd) merupakan salah satu logam tanah jarang, dimana logam tanah jarang dapat diekstrak dari mineral salah satunya mineral monasit. Logam Gd biasanya digunakan sebagai bahan dasar <em>contrast agent</em> dalam dunia kesehatan. Ligan dibutilditiokarbamat mampu membentuk senyawa kompleks dengan cara mengikat logam sehingga membentuk khelat yang dapat digunakan untuk ekstraksi. Tujuan dari penelitian ini adalah memantapkan sintesis ligan dibutilditiokarbamat berdasarkan desain eksperimen dan karakterisasi kompleks antara Gd(III) dengan ligan dibutilditiokarbamat ha
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Hendrati, Diana, Erianti Siska Purnamasari, Syulastri Effendi, and Santhy Wyantuti. "Pemantapan Proses Sintesis Ligan Dibutilditiokarbamat (DBDTK) Sebagai Pengekstrak Logam Tanah Jarang Berdasarkan Desain Eksperimen." ALCHEMY Jurnal Penelitian Kimia 14, no. 1 (2018): 195. http://dx.doi.org/10.20961/alchemy.14.1.15006.195-203.

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<p>Gadolinium (Gd) merupakan salah satu logam tanah jarang, dimana logam tanah jarang dapat diekstrak dari mineral salah satunya mineral monasit. Logam Gd biasanya digunakan sebagai bahan dasar <em>contrast agent</em> dalam dunia kesehatan. Ligan dibutilditiokarbamat mampu membentuk senyawa kompleks dengan cara mengikat logam sehingga membentuk khelat yang dapat digunakan untuk ekstraksi. Tujuan dari penelitian ini adalah memantapkan sintesis ligan dibutilditiokarbamat berdasarkan desain eksperimen dan karakterisasi kompleks antara Gd(III) dengan ligan dibutilditiokarbamat ha
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Hendrati, Diana, Erianti Siska Purnamasari, Syulastri Effendi, and Santhy Wyantuti. "Pemantapan Proses Sistesis Ligan Dibutilditiokarbamat (DBDTK) sebagai Pengekstrak Logam Tanah Jarang berdasarkan Desain Eksperimen." ALCHEMY Jurnal Penelitian Kimia 14, no. 1 (2018): 84. http://dx.doi.org/10.20961/alchemy.14.1.15006.84-99.

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<p>Gadolinium (Gd) merupakan salah satu logam tanah jarang, dimana logam tanah jarang dapat diekstrak dari mineral salah satunya mineral monasit. Logam Gd biasanya digunakan sebagai bahan dasar <em>contrast agent</em> dalam dunia kesehatan. Ligan dibutilditiokarbamat mampu membentuk senyawa kompleks dengan cara mengikat logam sehingga membentuk khelat yang dapat digunakan untuk ekstraksi. Tujuan dari penelitian ini adalah memantapkan sintesis ligan dibutilditiokarbamat berdasarkan desain eksperimen dan karakterisasi kompleks antara Gd(III) dengan ligan dibutilditiokarbamat ha
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Mehta, Simpi, and Seema R. Pathak. "INSILICO DRUG DESIGN AND MOLECULAR DOCKING STUDIES OF NOVEL COUMARIN DERIVATIVES AS ANTI-CANCER AGENTS." Asian Journal of Pharmaceutical and Clinical Research 10, no. 4 (2017): 335. http://dx.doi.org/10.22159/ajpcr.2017.v10i4.16826.

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Objective: Cancer is the major worldwide problem. It arises due to uncontrolled growth of cells. In the present study a series of novel coumarin derivatives were designed and computationallyoptimized to investigate the interaction between designed ligands and 10 pdb files of five selected proteins. The objective here was to analyse in silico anticancerous activity of designed ligands to reduce cost and time for getting novel anticancerous drug with minimum side effects.Methods: Docking studies were performed to find outmaximum interaction between designed ligands and selected five proteins usi
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Date, Richard W., Eva Fernandez Iglesias, Kathryn E. Rowe, James M. Elliott, and Duncan W. Bruce. "Metallomesogens by ligand design." Dalton Trans., no. 10 (2003): 1914–31. http://dx.doi.org/10.1039/b212610a.

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Fryzuk, Michael D. "Ligand Design Virtual Issue." Inorganic Chemistry 54, no. 20 (2015): 9671–74. http://dx.doi.org/10.1021/acs.inorgchem.5b02191.

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Dissertations / Theses on the topic "Ligand design"

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Kontopidis, George A. "Immunophilin ligand design." Thesis, University of Edinburgh, 2000. http://hdl.handle.net/1842/22386.

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The general aim of the project is predict and select small molecule ligands which may bind to 3D protein templates. Proteins from the Immunophilin family were used. The putative ligands were selected by two different methods, by structure similarity and using the docking program LIDAEUS, which was developed in house by Dr. P. Taylor. Twenty nine small molecules were selected from a small molecule database and were tested with a fluorescence assay, a PPIase assay and x-ray crystallography for binding activity. Six new ligands have been discovered which bind to Cyp-A. In this work the IC<sub>50<
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Hallman, Kristina. "Asymmetric Catalysis : Ligand Design and Conformational Studies." Doctoral thesis, KTH, Chemistry, 2001. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-3275.

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<p>This thesis deals with the design of ligands for efficientasymmetric catalysis and studies of the conformation of theligands in the catalytically active complexes. All ligandsdeveloped contain chiral oxazoline heterocycles.</p><p>The conformations of hydroxy- and methoxy-substitutedpyridinooxazolines and bis(oxazolines) during Pd-catalysedallylic alkylations were investigated using crystallography,2D-NMR techniques and DFT calculations. A stabilising OH-Pdinteraction was discovered which might explain the differencein reactivity between the hydroxy- and methoxy-containingligands. The confor
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Evans, P. L. "Ligand design for homogenous catalysis." Thesis, University of Oxford, 1987. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.376909.

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Green, Jason. "Ligand design for copper(I) catalysis." Thesis, University of Hull, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.318380.

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Frost, Jamie Michael. "Ligand design strategies for molecular nanomagnets." Thesis, University of Edinburgh, 2015. http://hdl.handle.net/1842/17990.

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This thesis describes the synthesis and magnetic characterisation of a series of polynuclear 3d and 3d/4f complexes built using phenolic oxime type ligands. Chapter two describes the reaction of salicylaldoxime and its derivatised analogues (R-saoH2) with the alkoxide containing co-ligands triethanolamine (TeaH3) and 2-(hydroxymethyl)pyridine (Hhmp), in the presence of Mn(II)/Ln(III) salts. This results in the formation of a family of sixteen [MnIII4LnIII2] clusters, which are structurally related to a previously studied [MnIII6] family of Single-Molecule Magnets (SMMs). The magnetic propertie
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Bremberg, Ulf. "Asymmetric catalysis : ligand design and microwave acceleration." Doctoral thesis, KTH, Chemistry, 2000. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-2962.

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<p>This thesis deals partly with the design and synthesis ofligands for use in asymmetric catalysis, and partly with theapplication of microwave heating on metal-based asymmetriccatalytic reactions.</p><p>Enantiomerically pure pyridyl alcohols and bipyridylalcohols were synthesized from the chiral pool for future usein asymmetric catalysis. Lithiated pyridines were reacted withseveral chiral electrophiles, yielding diastereomeric mixturesthat could be separated without the use of resolutiontechniques.</p><p>New pyridino- and quinolinooxazolines were synthesized andtested in palladium-catalyzed
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Jabri, Amir. "Mechanism and ligand design in ruthenium catalysis." Thesis, University of Ottawa (Canada), 2005. http://hdl.handle.net/10393/27208.

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The known ruthenium pincer complex RuCl(eta3-dcpx)(PPh 3) (7) (PCP = eta3-2,6-(PCy2CH 2)2C6H3) was transformed into several different hydride products under standard transfer hydrogenation conditions. In situ 31P NMR analysis during thermolysis of 7 in basic isopropanol permitted identification of RuH(eta3-dcpx)(PPh 3)(N2) (8a/b), RuH(eta3-dcpx)(PPh 3) (10), and RuH(eta3-dcpx)(PPh3 )(H2) (9a/b). A spectroscopically unobservable species, Ru(H)2[eta2-PC(H)P] (12), is proposed as the active species in transfer hydrogenation catalysis. The novel precatalyst, RuCl(eta3-dcpx)(py)2 ( 14), which may p
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Rio, Echevarria Iria M. "Applications of surface ligand design to flotation." Thesis, University of Edinburgh, 2007. http://hdl.handle.net/1842/3457.

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This thesis involves the design, synthesis and testing of organic hydrophobic ligands. They would act as co-collectors in froth flotation processes to enhance the recovery of sulfidic minerals which have undergone some oxidation on processing and are not efficiently collected by the commercial reagents used in froth flotation. Strong and selective binding to iron(III) oxide/hydroxide surfaces, e.g. goethite, over unwanted silicaceous material was considered essential criteria for such new cocollectors. A general overview of froth flotation processes is given in Chapter 1 as well as a descripti
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Boas, F. Edward. "Physics-based design of protein-ligand binding /." May be available electronically:, 2008. http://proquest.umi.com/login?COPT=REJTPTU1MTUmSU5UPTAmVkVSPTI=&clientId=12498.

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Speidel, Joshua A. "Computational approaches to structure based ligand design : an illustration for P/CAF bromodomain ligands /." Access full-text from WCMC, 2007. http://proquest.umi.com/pqdweb?did=1453183061&sid=21&Fmt=2&clientId=8424&RQT=309&VName=PQD.

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Books on the topic "Ligand design"

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Hans-Joachim, Böhm, and Gubernator Klaus, eds. Structure-based ligand design. Wiley-VCH, 1998.

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Stradiotto, Mark, and Rylan J. Lundgren, eds. Ligand Design in Metal Chemistry. John Wiley & Sons, Ltd, 2016. http://dx.doi.org/10.1002/9781118839621.

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Ballante, Flavio, ed. Protein-Ligand Interactions and Drug Design. Springer US, 2021. http://dx.doi.org/10.1007/978-1-0716-1209-5.

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Stoddard, Barry L., ed. Computational Design of Ligand Binding Proteins. Springer New York, 2016. http://dx.doi.org/10.1007/978-1-4939-3569-7.

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Storr, Tim, ed. Ligand Design in Medicinal Inorganic Chemistry. John Wiley & Sons, Ltd, 2014. http://dx.doi.org/10.1002/9781118697191.

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1959-, Merz Kenneth M., Ringe Dagmar, and Reynolds Charles H. 1957-, eds. Drug design: Structure and ligand-based approaches. Cambridge University Press, 2010.

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Didier, Rognan, ed. Ligand design for G protein-coupled receptors. Wiley, 2006.

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Merz, Kenneth M. Drug design: Structure- and ligand-based approaches. Cambridge University Press, 2010.

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Hans-Joachim, Böhm, and Schneider Gisbert 1965-, eds. Protein-ligand interactions from molecular recognition to drug design. Wiley-VCH, 2003.

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M, Rami Reddy, and Erion Mark D, eds. Free energy calculations in rational drug design. Kluwer Academic/Plenum Publishers, 2001.

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Book chapters on the topic "Ligand design"

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Wan, Qian-Hong. "Ligand Design." In Mixed-Mode Chromatography. Springer Singapore, 2021. http://dx.doi.org/10.1007/978-981-16-5485-5_5.

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Söderhjelm, Pär, Samuel Genheden, and Ulf Ryde. "Quantum Mechanics in Structure-Based Ligand Design." In Protein-Ligand Interactions. Wiley-VCH Verlag GmbH & Co. KGaA, 2012. http://dx.doi.org/10.1002/9783527645947.ch7.

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Gubernator, K., C. Broger, D. Bur, et al. "Structure-Based Ligand Design." In Computer Aided Drug Design in Industrial Research. Springer Berlin Heidelberg, 1995. http://dx.doi.org/10.1007/978-3-662-03141-4_4.

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Lundgren, Rylan J., and Mark Stradiotto. "Key Concepts in Ligand Design." In Ligand Design in Metal Chemistry. John Wiley & Sons, Ltd, 2016. http://dx.doi.org/10.1002/9781118839621.ch1.

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Cremer, Julian, Tuan Le, Djork-Arné Clevert, and Kristof T. Schütt. "Latent-Conditioned Equivariant Diffusion for Structure-Based De Novo Ligand Generation." In Lecture Notes in Computer Science. Springer Nature Switzerland, 2024. http://dx.doi.org/10.1007/978-3-031-72381-0_4.

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AbstractWe propose PoLiGenX for de novo ligand design using latent-conditioned, target-aware equivariant diffusion. Our model leverages the conditioning of the generation process on reference molecules within a protein pocket to produce shape-similar de novo ligands that can be used for target-aware hit expansion and hit optimization. The results of our study showcase the efficacy of PoLiGenX in ligand design. Docking scores indicate that the generated ligands exhibit superior binding affinity compared to the reference molecule while preserving the shape. At the same time, our model maintains
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Osten, Kimberly M., Dinesh C. Aluthge, and Parisa Mehrkhodavandi. "Ligand Design in Enantioselective Ring-opening Polymerization of Lactide." In Ligand Design in Metal Chemistry. John Wiley & Sons, Ltd, 2016. http://dx.doi.org/10.1002/9781118839621.ch10.

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Caballero, Ana, M. Mar Díaz-Requejo, Manuel R. Fructos, Juan Urbano, and Pedro J. Pérez. "Modern Applications of Trispyrazolylborate Ligands in Coinage Metal Catalysis." In Ligand Design in Metal Chemistry. John Wiley & Sons, Ltd, 2016. http://dx.doi.org/10.1002/9781118839621.ch11.

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Mills, David P., and Stephen T. Liddle. "Ligand Design in Modern Lanthanide Chemistry." In Ligand Design in Metal Chemistry. John Wiley & Sons, Ltd, 2016. http://dx.doi.org/10.1002/9781118839621.ch12.

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Ryken, Scott A., Philippa R. Payne, and Laurel L. Schafer. "Tight Bite AngleN,O-Chelates. Amidates, Ureates and Beyond." In Ligand Design in Metal Chemistry. John Wiley & Sons, Ltd, 2016. http://dx.doi.org/10.1002/9781118839621.ch13.

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Quigley, Brendan L., and Robert H. Grubbs. "Catalyst Structure andCis-TransSelectivity in Ruthenium-based Olefin Metathesis." In Ligand Design in Metal Chemistry. John Wiley & Sons, Ltd, 2016. http://dx.doi.org/10.1002/9781118839621.ch2.

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Conference papers on the topic "Ligand design"

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Hussein, Layth, P. Ilanchezhian, Praveen Kumar Hiremath, V. Sivakumar, and S. Senthil Kumar. "Dual Channel based Convolutional Neural Network based Protein–Ligand Interaction Prediction for Drug Design." In 2024 First International Conference on Software, Systems and Information Technology (SSITCON). IEEE, 2024. https://doi.org/10.1109/ssitcon62437.2024.10796432.

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Gao, Yandong, Dana Brantley-Sieders, Devi Majumdar, Jin Chen, Donna Webb, and Deyu Li. "A Simple Approach to Probe the Extracellular Signaling Pathways Using Ligand Traps." In ASME 2012 Third International Conference on Micro/Nanoscale Heat and Mass Transfer. American Society of Mechanical Engineers, 2012. http://dx.doi.org/10.1115/mnhmt2012-75106.

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Cells communicate with one another through a huge variety of extracellular soluble signaling molecules. A common method in biology to investigate the signaling pathways is to inactivate the gene coding the interested ligand or receptor from cells using modern DNA technology, known as gene knockout. Even though very effective, however, gene knockout is a time-consuming and cost-prohibitive process and requires huge amount of efforts to conduct. Here we present a simple method to probe the extracellular signaling pathways through engineering a semi-permeable barrier between two cell populations.
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Rakshit, Pratyusha, Amit Konar, Archana Chowdhury, Eunjin Kim, and Atulya K. Nagar. "Muti-objective evolutionary approach of ligand design for protein-ligand docking problem." In 2013 IEEE Congress on Evolutionary Computation (CEC). IEEE, 2013. http://dx.doi.org/10.1109/cec.2013.6557576.

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Ucan, Halil Ismet, and Aslihan Yilmaz Obali. "Design of azide-substitued polypyridine ligand." In 2017 IEEE 7th International Conference "Nanomaterials: Application & Properties" (NAP). IEEE, 2017. http://dx.doi.org/10.1109/nap.2017.8190216.

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Todorov, Nikolay P., and Philip M. Dean. "Computational ligand design by free energy minimization." In The third international symposium on biological physics. AIP, 1999. http://dx.doi.org/10.1063/1.59894.

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Maccallum, Rob, and Geoff Nitschke. "Automated Ligand Design in Simulated Molecular Docking." In The 2022 Conference on Artificial Life. MIT Press, 2022. http://dx.doi.org/10.1162/isal_a_00482.

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Velo-Heleno, Isabel, Sandra Fernández-Fariña, Uxía Barreiro-Sisto, Laura Rodríguez-Silva, and Rosa Pedrido. "Design, Synthesis and Characterization of a Bicompartmental bisthiosemicarbazone Ligand." In ECSOC 2023. MDPI, 2023. http://dx.doi.org/10.3390/ecsoc-27-16093.

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Barreiro-Sisto, Uxía, Marcelino Maneiro, and Rosa Pedrido. "Design, Synthesis and Characterization of a Phosphino-Azine Ligand." In ECSOC 2024. MDPI, 2024. https://doi.org/10.3390/ecsoc-28-20129.

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Jomeh, Sina, and Mina Hoorfar. "Numerical Investigation of the Effect of Geometric and Physiochemical Parameters on Biomolecule Capture Efficiency." In ASME 2010 8th International Conference on Nanochannels, Microchannels, and Minichannels collocated with 3rd Joint US-European Fluids Engineering Summer Meeting. ASMEDC, 2010. http://dx.doi.org/10.1115/fedsm-icnmm2010-30531.

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This paper presents and compares three different designs including open channel, circular pillar and screen-plate microreactors for capturing and detection of biomolecules in a buffer liquid. In general, these capturing/detection devices consist of a flow cell containing one or several reactive surfaces loaded with ligand molecules. The critical issue in the design of an efficient device is the proximity of the biomolecules to the ligands in the capturing stage since the latter is immobilized on the reactive surface and the former is freely moving in the flow. The flow pattern and the geometry
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Mladenović, Milan P., Nevena M. Tomašević, Sanja Lj Matić, Tamara M. Mladenović, and Rino Ragno. "Computer-aided design of new drugs against breast cancer." In 2nd International Conference on Chemo and Bioinformatics. Institute for Information Technologies, University of Kragujevac, 2023. http://dx.doi.org/10.46793/iccbi23.641m.

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Computational medicinal chemistry, if used properly and in accordance with the available experimental data, may provide significant support to rational drug design. Herein, an overview of the computational approaches that have been applied to an estrogen receptor α (ERα) and endowed in the rational design of pM ERα antagonists with profound anti-breast cancer activity either in vitro or in vivo, will be presented. ERα is a 17β-estradiol inducible transcriptional regulator that initiates the RNA polymerase II-dependent transcriptional machinery, pointed for breast cancer (BC) development via ei
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Reports on the topic "Ligand design"

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Szigethy, Geza. Rational Ligand Design for U(VI) and Pu(IV). Office of Scientific and Technical Information (OSTI), 2009. http://dx.doi.org/10.2172/972716.

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Rafaeli, Ada, and Russell Jurenka. Molecular Characterization of PBAN G-protein Coupled Receptors in Moth Pest Species: Design of Antagonists. United States Department of Agriculture, 2012. http://dx.doi.org/10.32747/2012.7593390.bard.

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The proposed research was directed at determining the activation/binding domains and gene regulation of the PBAN-R’s thereby providing information for the design and screening of potential PBAN-R-blockers and to indicate possible ways of preventing the process from proceeding to its completion. Our specific aims included: (1) The identification of the PBAN-R binding domain by a combination of: (a) in silico modeling studies for identifying specific amino-acid side chains that are likely to be involved in binding PBAN with the receptor and; (b) bioassays to verify the modeling studies using mut
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Clark, Aurora Sue, Nathalie Wall, and Paul Benny. Rapid Computer Aided Ligand Design and Screening of Precious Metal Extractants from TRUEX Raffinate with Experimental Validation. Office of Scientific and Technical Information (OSTI), 2015. http://dx.doi.org/10.2172/1232661.

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Jha, Ramesh, Sang-Min Shin, and Taraka Dale. Rosetta Comparative Modeling and Ligand Docking for a Transcription Factor Library Design to Select Biosensor for an Anthropogenic Molecule. Office of Scientific and Technical Information (OSTI), 2022. http://dx.doi.org/10.2172/1871442.

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Leeladee, Pannee. Cooperative small-molecule activation toward sustainable catalysis. Faculty of Science, Chulalongkorn University, 2018. https://doi.org/10.58837/chula.res.2018.47.

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In this research, a series of copper complexes containing polypyridyl ligands were designed to study the influence from ligands, nuclearity, solvents and secondary coordination on reactivity toward small-molecule activation. This structure-reactivity relationship was used in investigation for oxygen reduction reactions (ORR), and applied in detection of ascorbic acid (AsH₂). Firstly, copper (II) complexes containing polypyridyl derivatives ligands (i.e., Cu(dpa), Cu(adpa) and Cu₂ (addpa)) were synthesized and fully characterized by elemental analysis, mass spectrometry and X-ray crystallograph
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Altstein, Miriam, and Ronald J. Nachman. Rational Design of Insect Control Agent Prototypes Based on Pyrokinin/PBAN Neuropeptide Antagonists. United States Department of Agriculture, 2013. http://dx.doi.org/10.32747/2013.7593398.bard.

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The general objective of this study was to develop rationally designed mimetic antagonists (and agonists) of the PK/PBAN Np class with enhanced bio-stability and bioavailability as prototypes for effective and environmentally friendly pest insect management agents. The PK/PBAN family is a multifunctional group of Nps that mediates key functions in insects (sex pheromone biosynthesis, cuticular melanization, myotropic activity, diapause and pupal development) and is, therefore, of high scientific and applied interest. The objectives of the current study were: (i) to identify an antagonist bioph
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Rafaeli, Ada, Russell Jurenka, and Chris Sander. Molecular characterisation of PBAN-receptors: a basis for the development and screening of antagonists against Pheromone biosynthesis in moth pest species. United States Department of Agriculture, 2008. http://dx.doi.org/10.32747/2008.7695862.bard.

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The original objectives of the approved proposal included: (a) The determination of species- and tissue-specificity of the PBAN-R; (b) the elucidation of the role of juvenile hormone in gene regulation of the PBAN-R; (c) the identificationof the ligand binding domains in the PBAN-R and (d) the development of efficient screening assays in order to screen potential antagonists that will block the PBAN-R. Background to the topic: Moths constitute one of the major groups of pest insects in agriculture and their reproductive behavior is dependent on chemical communication. Sex-pheromone blends are
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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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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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Eyal, Yoram, and Sheila McCormick. Molecular Mechanisms of Pollen-Pistil Interactions in Interspecific Crossing Barriers in the Tomato Family. United States Department of Agriculture, 2000. http://dx.doi.org/10.32747/2000.7573076.bard.

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During the evolutionary process of speciation in plants, naturally occurring barriers to reproduction have developed that affect the transfer of genes within and between related species. These barriers can occur at several different levels beginning with pollination-barriers and ending with hybrid-breakdown. The interaction between pollen and pistils presents one of the major barriers to intra- and inter-specific crosses and is the focus of this research project. Our long-term goal in this research proposal was defined to resolve questions on recognition and communication during pollen-pistil
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Marshall, G. R. De novo design of ligands for metal separation. 1998 annual progress report. Office of Scientific and Technical Information (OSTI), 1998. http://dx.doi.org/10.2172/13746.

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