Academic literature on the topic 'Immunology; Molecular dynamics'

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Journal articles on the topic "Immunology; Molecular dynamics"

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Stavrakoudis, Athanassios. "Conformational Flexibility in Designing Peptides for Immunology: The Molecular Dynamics Approach." Current Computer Aided-Drug Design 6, no. 3 (2010): 207–22. http://dx.doi.org/10.2174/157340910791760073.

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Kortkhonjia, Ekaterine, Relly Brandman, Joe Zhongxiang Zhou, et al. "Probing antibody internal dynamics with fluorescence anisotropy and molecular dynamics simulations." mAbs 5, no. 2 (2013): 306–22. http://dx.doi.org/10.4161/mabs.23651.

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Grossman, Zvi, Charles L. Greenblatt, and Irun R. Cohen. "Parasite immunology and lymphocyte population dynamics." Journal of Theoretical Biology 121, no. 2 (1986): 129–39. http://dx.doi.org/10.1016/s0022-5193(86)80088-1.

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Mallik, Buddhadeb, and Dimitrios Morikis. "Applications of Molecular Dynamics Simulations in Immunology: A Useful Computational Method in Aiding Vaccine Design." Current Proteomics 3, no. 4 (2006): 259–70. http://dx.doi.org/10.2174/157016406780655568.

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Lopes, António M., and José A. Tenreiro Machado. "Symmetry in Complex Systems." Symmetry 12, no. 6 (2020): 982. http://dx.doi.org/10.3390/sym12060982.

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Complex systems with symmetry arise in many fields, at various length scales, including financial markets, social, transportation, telecommunication and power grid networks, world and country economies, ecosystems, molecular dynamics, immunology, living organisms, computational systems, and celestial and continuum mechanics [...]
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Dongmo Foumthuim, Cedrix J., Alessandra Corazza, Rodolfo Berni, Gennaro Esposito, and Federico Fogolari. "Dynamics and Thermodynamics of Transthyretin Association from Molecular Dynamics Simulations." BioMed Research International 2018 (June 5, 2018): 1–14. http://dx.doi.org/10.1155/2018/7480749.

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Molecular dynamics simulations are used in this work to probe the structural stability and the dynamics of engineered mutants of transthyretin (TTR), i.e., the double mutant F87M/L110M (MT-TTR) and the triple mutant F87M/L110M/S117E (3M-TTR), in relation to wild-type. Free energy analysis from end-point simulations and statistical effective energy functions are used to analyze trajectories, revealing that mutations do not have major impact on protein structure but rather on protein association, shifting the equilibria towards dissociated species. The result is confirmed by the analysis of 3M-T
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Mills, David M., and John C. Cambier. "B lymphocyte activation during cognate interactions with CD4+ T lymphocytes: molecular dynamics and immunologic consequences." Seminars in Immunology 15, no. 6 (2003): 325–29. http://dx.doi.org/10.1016/j.smim.2003.09.004.

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Klinke, David J., and Qing Wang. "Understanding Immunology via Engineering Design: The Role of Mathematical Prototyping." Computational and Mathematical Methods in Medicine 2012 (2012): 1–9. http://dx.doi.org/10.1155/2012/676015.

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A major challenge in immunology is how to translate data into knowledge given the inherent complexity and dynamics of human physiology. Both the physiology and engineering communities have rich histories in applying computational approaches to translate data obtained from complex systems into knowledge of system behavior. However, there are some differences in how disciplines approach problems. By referring to mathematical models as mathematical prototypes, we aim to highlight aspects related to the process (i.e., prototyping) rather than the product (i.e., the model). The objective of this pa
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Yamashita, Takefumi. "Toward rational antibody design: recent advancements in molecular dynamics simulations." International Immunology 30, no. 4 (2018): 133–40. http://dx.doi.org/10.1093/intimm/dxx077.

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Loeffler, Dirk, and Timm Schroeder. "Understanding cell fate control by continuous single-cell quantification." Blood 133, no. 13 (2019): 1406–14. http://dx.doi.org/10.1182/blood-2018-09-835397.

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Abstract Cells and the molecular processes underlying their behavior are highly dynamic. Understanding these dynamic biological processes requires noninvasive continuous quantitative single-cell observations, instead of population-based average or single-cell snapshot analysis. Ideally, single-cell dynamics are measured long-term in vivo; however, despite progress in recent years, technical limitations still prevent such studies. On the other hand, in vitro studies have proven to be useful for answering long-standing questions. Although technically still demanding, long-term single-cell imagin
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Dissertations / Theses on the topic "Immunology; Molecular dynamics"

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Smith, Michael J. "Molecular modelling of MHC/peptide complexes." Thesis, University of Oxford, 1995. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.297304.

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Janani, Ramesh. "B cell development and death in mouse bone marrow : effect of a bcl-2 transgene and Iprgld mutations on in vivo dynamics and localisation of precursor B cells." Thesis, McGill University, 1997. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=34647.

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The possible roles of the anti-apoptotic protein, Bcl-2, and pro-apoptotic Fas receptor-ligand interactions in cell death decisions during the development of B lymphocytes in mouse bone marrow and their maturation in the spleen have been evaluated in gene-modified and mutant mice.<br>In Emu-bcl-2 transgenic mice, the population dynamics and tissue organisation of phenotypically defined precursor B cells, have been evaluated by immunofluorescence labeling, mitotic arrest, BrdU uptake, flow cytometry and in vivo radioimmunolabeling combined with light and electron microscope radioautography. In
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Nadas, Janos Istvan. "Computational Structure Activity Relationship Studies on the CD1d/Glycolipid/TCR Complex using AMBER and AUTODOCK." The Ohio State University, 2009. http://rave.ohiolink.edu/etdc/view?acc_num=osu1251145085.

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Ozen, Aysegul. "Structure and Dynamics of Viral Substrate Recognition and Drug Resistance: A Dissertation." eScholarship@UMMS, 2005. http://escholarship.umassmed.edu/gsbs_diss/677.

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Drug resistance is a major problem in quickly evolving diseases, including the human immunodeficiency (HIV) and hepatitis C viral (HCV) infections. The viral proteases (HIV protease and HCV NS3/4A protease) are primary drug targets. At the molecular level, drug resistance reflects a subtle change in the balance of molecular recognition; the drug resistant protease variants are no longer effectively inhibited by the competitive drug molecules but can process the natural substrates with enough efficiency for viral survival. Therefore, the inhibitors that better mimic the natural substrate bindin
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Ozen, Aysegul. "Structure and Dynamics of Viral Substrate Recognition and Drug Resistance: A Dissertation." eScholarship@UMMS, 2013. https://escholarship.umassmed.edu/gsbs_diss/677.

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Drug resistance is a major problem in quickly evolving diseases, including the human immunodeficiency (HIV) and hepatitis C viral (HCV) infections. The viral proteases (HIV protease and HCV NS3/4A protease) are primary drug targets. At the molecular level, drug resistance reflects a subtle change in the balance of molecular recognition; the drug resistant protease variants are no longer effectively inhibited by the competitive drug molecules but can process the natural substrates with enough efficiency for viral survival. Therefore, the inhibitors that better mimic the natural substrate bindin
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Morris, Matthew. "Molecular mechanisms responsible for the dynamic modulation of macrophage responses to varying dosages of lipopolysaccharide." Diss., Virginia Tech, 2014. http://hdl.handle.net/10919/64253.

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The innate immune system depends for its effectiveness on the function of specialized pattern recognition receptors which enable it to target pathogens for destruction on the basis of conserved molecular patterns such as flagellin or lipopolysaccharide (LPS). Specifically, LPS is recognized by the Toll-like receptor 4 (TLR4), activating a signaling pathway which triggers the production of both pro- and anti-inflammatory mediators. Very low doses of LPS, however, preferentially induce pro-inflammatory cytokines, which can lead to persistent low-grade inflammation, a contributing factor in a hos
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Bailey, Alistair. "Relating the structure, function and dynamics of the MHC Class I antigen presenting molecule." Thesis, University of Southampton, 2013. https://eprints.soton.ac.uk/376359/.

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Posgai, Monica Therese. "Energetic and dynamic characterization of the IgA1:FcαRI interaction reveals long-range conformational changes in IgA1 upon receptor binding". University of Cincinnati / OhioLINK, 2012. http://rave.ohiolink.edu/etdc/view?acc_num=ucin1354043317.

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Bashour, Keenan. "Spatial Dynamics and the Mechanoresponse in CD4+ T Cell Activation." Thesis, 2013. https://doi.org/10.7916/D80864PP.

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The activation of naïve CD4+ T cells by antigen presenting cells is a critical step in the response of the immune system to foreign pathogens and in its acclimation to host tissues. Activation of naïve T cells proceeds through TCR engagement and is further augmented by CD28 costimulation: ensuring T cell survival and conferring numerous functional capabilities. The work in this dissertation highlights the spatial and temporal dynamics that regulate the initial coupling of CD28 with TCR signaling and also dissects the mechanical properties conferred by downstream effectors that are required to
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"The dynamics of Plasmodium falciparum variation in western Kenya." Tulane University, 1996.

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In an area of intense transmission, a malaria vaccine could reduce infection due to the parasite types represented in the vaccine, but have no detectable effect on the overall frequency of infection if there were multiple parasite types and immunization did not protect against heterologous parasites. These studies were performed to determine whether immunization with SPf66 decreased infection with parasites containing the 11 amino acid peptide from merozoite surface protein-1 (MSP-1) present in SPf66, or increased infection due to heterologous parasites containing alternate (heterologous) MSP-
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Books on the topic "Immunology; Molecular dynamics"

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J, Wood Kathryn, ed. Principles of cellular and molecular immunology. Oxford University Press, 1993.

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Book chapters on the topic "Immunology; Molecular dynamics"

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Carrasco, Yolanda R. "Molecular and Cellular Dynamics at the Early Stages of Antigen Encounter: The B-Cell Immunological Synapse." In Current Topics in Microbiology and Immunology. Springer Berlin Heidelberg, 2009. http://dx.doi.org/10.1007/978-3-642-03858-7_3.

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Eliseev, A. V., and J. M. Lehn. "Dynamic Combinatorial Chemistry: Evolutionary Formation and Screening of Molecular Libraries." In Current Topics in Microbiology and Immunology. Springer Berlin Heidelberg, 1999. http://dx.doi.org/10.1007/978-3-642-60142-2_9.

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Hruby, Victor J., and Terry O. Matsunaga. "Applications of Synthetic Peptides." In Synthetic Peptides. Oxford University Press, 2002. http://dx.doi.org/10.1093/oso/9780195132618.003.0008.

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The tremendous advances in the development of methods for the design and synthesis of peptides. pseudo-peptides and related compounds, as well as the corresponding advances in our understanding of peptide and protein structure, conformation, topography, and dynamics provides unique opportunities to apply designed synthetic peptides for an enormous variety of problems in chemistry, biology, and medicine. In addition, if these advances can be coupled to the advances in molecular biology and the human genome project, on the one hand, and asymmetric synthesis and catalysis, on the other, it should be possible to provide hitherto unavailable, indeed unthinkable, approaches to diverse areas of drug design, behavioral neuroscience, molecular immunology, chemotherapy, and a wide variety of other uses. Already it is clear that peptide therapy has enormous potential in such diverse areas as growth control, blood pressure management, neurotransmission, hormone action, satiety, addiction, pain, digestion, reproduction, and so forth. Nature has “discovered” that it can control nearly all biological processes by various kinds of molecular recognition, and that peptides and proteins are uniquely suited for this control because of their enormous potential for diversity and their unique physico-chemical properties. This finding may, perhaps, be most readily understood if one recognizes that, considering only the 20 normal eukaryotic amino acids, the number of unique chemical entities for a pentapeptide is 3,200,000 (205), for a hexapeptide it is 64,000,000 (206), and so on. Considered from this perspective, perhaps it is not unexpected that Nature has “discovered” that peptides and proteins can do it all, from providing structure and motion, to catalysis, to information transduction, to growth and maturation, and so on. The ability of the immune system in higher animals, including humans, to recognize literally millions of foreign materials made by Nature as well as humans, and to get rid of them as part of its survival strategy, is just one example that illustrates the potential of peptide-based drugs, therapeutics, and modulators of biological function. Despite the enormous potential of peptides and small proteins for these areas, surprisingly little advantage has been taken of the potential of these molecules as drugs and tools for use in basic and clinical research.
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Monnot, Gwennaëlle C., and Pedro Romero. "Immunotherapy and tumour resistance to immune-mediated control and elimination." In Oxford Textbook of Cancer Biology, edited by Francesco Pezzella, Mahvash Tavassoli, and David J. Kerr. Oxford University Press, 2019. http://dx.doi.org/10.1093/med/9780198779452.003.0029.

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The field of tumour immunology has gradually reached a consensus that the immune system and tumours sustain a rich set of dynamic interactions starting early during carcinogenesis. Incipient tumours may be eliminated by the immune system via adaptive immune responses mediated mainly by cytotoxic CD8 T lymphocytes, which recognize short antigenic peptides presented by polymorphic major histocompatibility complex (MHC) class I molecules. Advanced tumours, however, are generally highly resistant to the main effectors of the immune system. Moreover, the molecular and cellular composition of the tumour microenvironment is strongly immunosuppressive. Recent research efforts have focused on the dissection of the mechanisms operating at the tumour sites, which neutralize antitumour immunity in both experimental models and directly in cancer patients. All along this basic research, translational scientists have tried to harness the immune system to design novel therapeutic modalities that have collectively been coined as cancer immunotherapy. The overall goal has been to increase the numbers of tumour antigen-specific T cells in cancer patients via either vaccination or adoptive transfer of large numbers of immune cells. It is safe to state that cancer immunotherapy will provide a revolution in the treatment of cancer and the future may bear the prospect of effective tumour control in many cancer types, and that immunotherapy will be one of the main components of effective therapeutic options.
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Conference papers on the topic "Immunology; Molecular dynamics"

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Alexandrov, Vitaly, and Konstantin Klyukin. "Abstract A98: Molecular dynamics study of pH-dependent interactions between immune checkpoint receptor PD-1 and PD-L1." In Abstracts: AACR Special Conference on Tumor Immunology and Immunotherapy; November 27-30, 2018; Miami Beach, FL. American Association for Cancer Research, 2020. http://dx.doi.org/10.1158/2326-6074.tumimm18-a98.

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