Results 11 to 20 of about 228,098 (300)
Metabolites, 2022 Mass spectrometry is the most commonly used method for compound annotation in metabolomics. However, most mass spectra in untargeted assays cannot be annotated with specific compound structures because reference mass spectral libraries are far smaller ...
Jesi Lee +4 more
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Computational and Structural Biotechnology Journal, 2022 The rapid mutations on hemagglutinin (HA) of influenza A virus (IAV) can lead to significant antigenic variance and consequent immune mismatch of vaccine strains. Thus, rapid antigenicity evaluation is highly desired.
Jingxuan Qiu +8 more
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Review of Immunoinformatic approaches to in-silico B-cell epitope prediction [PDF]
, 2007 In this paper, the current state of in-silico, B-cell epitope prediction is discussed. Recommendations for improving some of the approaches encountered are outlined, along with the presentation of an entirely novel technique, which uses molecular ...
Rick Reitmaier
core +2 more sources
Predicting human blood viscosity in silico [PDF]
Proceedings of the National Academy of Sciences, 2011 The viscosity of blood has long been used as an indicator in the understanding and treatment of disease, and the advent of modern viscometers allows its measurement with ever-improving clinical convenience. However, these advances have not been matched by theoretical developments that can yield a quantitative understanding of blood’s microrheology and ...
Dmitry A, Fedosov +4 more
openaire +2 more sources
Frontiers in Microbiology, 2021 Recent advancements in vaccinology have led to the development of the M72/AS01E subunit vaccine, of which the major component is the Mycobacterium tuberculosis (MTB) PPE18 protein.
Jill M. C. Hakim, Zhenhua Yang
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In Silico Analysis of Variants of Uncertain Significance in AP4S1 Gene
Bioscientific Review, 2020 Hereditary spastic paraplegia is a group of heterogeneous neurological disorders with genetic etiologies. It is characterized by spasticity in lower limbs along with neurological complications.
Sobia Nazir Chaudry +3 more
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Pharmaceuticals, 2021 In recent years, a number of machine learning models for the prediction of the skin sensitization potential of small organic molecules have been reported and become available. These models generally perform well within their applicability domains but, as
Anke Wilm +7 more
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Software Tools and Approaches for Compound Identification of LC-MS/MS Data in Metabolomics. [PDF]
, 2018 The annotation of small molecules remains a major challenge in untargeted mass spectrometry-based metabolomics. We here critically discuss structured elucidation approaches and software that are designed to help during the annotation of unknown compounds.
Blaženović, Ivana +3 more
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The benefits of in silico modeling to identify possible small-molecule drugs and their off-target interactions [PDF]
, 2018 Accepted for publication in a future issue of Future Medicinal Chemistry.The research into the use of small molecules as drugs continues to be a key driver in the development of molecular databases, computer-aided drug design software and collaborative ...
Blomberg N +6 more
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Genotoxicity assessment of piperitenone oxide: an in vitro and in silico evaluation [PDF]
, 2017 Piperitenone oxide, a natural flavouring agent also known as rotundifolone, has been studied for the genotoxicity assessment by an integrated in vitro and in silico experimental approach, including the bacterial reverse mutation assay, the micronucleus ...
Abete, Lorena +9 more
core +1 more source