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Showing 1 to 20 of 70 for “"molecular chemistry"”.

  1. Machine Learning Force Fields for Molecular Chemistry

    The first principles computational modelling of molecular systems is a long-standing pursuit in the scientific community. It has traditionally been tackled by developing approximate solutions to quantum mechanics. Simulations using these electronic structure based methods can be highly accurate but …

    cambridge Repository record for Machine Learning Force Fields for Molecular Chemistry (opens in a new tab)

  2. Bazinių mašininio mokymo modelių taikymas kvantinės chemijos duomenų analizei /

    … environment, particularly the dynamics of large molecular structures, is crucial in molecular chemistry. However, the computational resources required for solving such complex systems often necessitate the use of approximate calculation methods, which can compromise result accuracy. To address …

    vilnius Repository record for Bazinių mašininio mokymo modelių taikymas kvantinės chemijos duomenų analizei / (opens in a new tab)

  3. A lightweight, graph-theoretic model of class-based similarity to support object-oriented code reuse.

    … transfer of techniques from the domains of molecular chemistry and computer vision. Both domains provide an existing template for the analysis and comparison of structures as graphs. The inspiration for representing classes as attributed relational graphs, and the application of …

    rgu Repository record for A lightweight, graph-theoretic model of class-based similarity to support object-oriented code reuse. (opens in a new tab)

  4. The Total Synthesis of () 7-HDHA

    Fatty acid () 7-HDHA was recently identified as an endogenous ligand for PPAR/ receptors by one of our collaborators Dr. Henry Krause group. While this discovery is promising in understanding PPARs mechanism of effects and related diseases (Alzheimers disease, cerebral ischemia, retina …

    york Repository record for The Total Synthesis of () 7-HDHA (opens in a new tab)

  5. Self-assembling amphiphilic peptides: A novel approach to create new drug systems and three-dimensional scaffolds for tissue regeneration. A resourceful mine not yet fully explored

    Molecular self-assembly offers unique features for the development of novel supramolecular structures and advanced materials. The inspiration for the creation of these complex structures is often driven by nature, where complex architectures are obtained from simple building block such as amino …

    rice Repository record for Self-assembling amphiphilic peptides: A novel approach to create new drug systems and three-dimensional scaffolds for tissue regeneration. A resourceful mine not yet fully explored (opens in a new tab)

  6. Surface conjugation of upconversion nanoparticles via supramolecular host-guest self-assembly

    … example: while it delivers a great promise as molecular probes, sensors, drug carriers and light transducers for a library of application in the area of biological and physical science. However, the hydrophobic surface of UCNPs, sometimes, is one of the main challenges for further applications, …

    uts Repository record for Surface conjugation of upconversion nanoparticles via supramolecular host-guest self-assembly (opens in a new tab)

  7. Replacing Sp2 Hybridized Carbon Centers with Phosphorus

    The striking parallels between the chemistry of molecular carbon and phosphorus compounds has fascinated chemists for decades and has even led to phosphorus being coined “the Carbon Copy.” A guiding tenet in organic chemistry is that carbon can be bonded to a maximum of four other atoms to satisfy …

    york Repository record for Replacing Sp2 Hybridized Carbon Centers with Phosphorus (opens in a new tab)

  8. One click closer to understanding transglutaminase 2

    Contains fulltext : 102348.pdf (Publisher’s version ) (Open Access)

    radboud Repository record for One click closer to understanding transglutaminase 2 (opens in a new tab)

  9. Human RNase MRP complexes: The Rpp25-Rpp20 dimer makes the difference

    Contains fulltext : 30946_humarnmrc.pdf (Publisher’s version ) (Open Access)

    radboud Repository record for Human RNase MRP complexes: The Rpp25-Rpp20 dimer makes the difference (opens in a new tab)

  10. The Gordian knot of small heat shock proteins and tissue transglutaminae

    Contains fulltext : 32056_gordknofs.pdf (Publisher’s version ) (Open Access) Contains fulltext : 72514.pdf (Publisher’s version ) (Open Access)

    radboud Repository record for The Gordian knot of small heat shock proteins and tissue transglutaminae (opens in a new tab)

  11. Sistemas Luminiscentes Ciclometalados de Pt e Ir con Cromóforos 2-Arilbenzotiazol: Aplicaciones Biológicas y Fotocatalíticas

    … as coligands, which exhibitidistintic intermolecular interactions, have been prepared. In these complexes, the variation of the substituent in the picolinate chelate ligand and the crystallization solvent originate different types of solid phases with distinct optical properties, including …

    dialnet Repository record for Sistemas Luminiscentes Ciclometalados de Pt e Ir con Cromóforos 2-Arilbenzotiazol: Aplicaciones Biológicas y Fotocatalíticas (opens in a new tab)

  12. The role of thiols in nitric oxide donor chemistry: Studies using product analysis and a novel proteomics technique.

    The role of thiols in nitric oxide donor chemistry: Studies using product analysis and a novel proteomics technique.

    uic

  13. Molecular dynamics studies of the protein bacteriorhodopsin

    Item marked as restricted to the 'UIUC Users [automated]' Group (id=2) by Howard Ding (hding2@illinois.edu) on 2011-05-07T15:00:54Z Item is restricted indefinitely.

    uiuc Repository record for Molecular dynamics studies of the protein bacteriorhodopsin (opens in a new tab)

  14. Molecular analysis of wheat snRNAs

    Pre-mRNA splicing is a complex event in which introns are removed and exons spliced together. This process is mediated by small ribonucleoprotein particles (snRNPs), formed from small nuclear RNAs (snRNAs) and their associated nuclear proteins.

    uiuc Repository record for Molecular analysis of wheat snRNAs (opens in a new tab)

  15. Role of proximal residues in controlling CO binding reactions in myoglobin

    Restriction data tranferred 2014-07-01T11:32:19-05:00 Original Data Group with Access UIUC Users [automated] Release Date: none Reason: ETDs are only available to UIUC Users without author permission

    uiuc Repository record for Role of proximal residues in controlling CO binding reactions in myoglobin (opens in a new tab)

  16. Properties of immunoglobulin Fv domains: Influence of valence and protein dynamics on antibody/antigen interactions

    Item marked as restricted to the 'UIUC Users [automated]' Group (id=2) by Howard Ding (hding2@illinois.edu) on 2011-05-07T14:44:43Z Item is restricted indefinitely.

    uiuc Repository record for Properties of immunoglobulin Fv domains: Influence of valence and protein dynamics on antibody/antigen interactions (opens in a new tab)

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