Search Results - Pimlico~
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The importance of in-silico studies in drug discovery
Published 2024“…The use of in-silico research in drug development is growing. Aspects of drug discovery and development, such as virtual ligand screening and profiling, target and lead finding, and compound library creation, are simulated by computational approaches. …”
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In-silico approach in risk assessment of nutraceutical properties
Published 2019“…The main objective is to explore the use of in silico tools in a risk assessment context of nutraceutical product, to relate properties of the molecular structure to the toxic effect of the chemical substance, by using principles and methods of computational chemistry. …”
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Understanding the role of mitochondrial haemoglobin - an in silico approach
Published 2022“…The thesis entails in vitro and in silico approaches combined to decipher a Hb interactome. …”
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In silico design in designing xylanase for biobleaching industry
Published 2009“…Simulated point mutation shows that arginine substitution potentially increased the number of hydrogen bond; correlate with the xylanase activity and some changes in amino acid sequence specifically to the α-helix and β-sheet appeared to be promising in improving thermostability of xylanase. This in silico method results can be used to develop new efficient xylanase for pulp bleaching industry. …”
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In silico designing of thermostabe β-Glucuronidase (GUS)
Published 2010“…This research has used Molecular Dynamics (MD) techniquess as an in silico method of correlating the experimental studies done on GUS enzyme with computational study and has analyzed and identified the structural factors responsible for thermostability of this enzyme. …”
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In silico approach in designing Xylanase for biobleaching industry
Published 2009“…Simulated point mutation shows that arginine substitution potentially increased the number of hydrogen bond; correlate with the xylanase activity and some changes in amino acid sequence specifically to the α-helix and β-sheet appeared to be promising in improving thermostability of xylanase. This in silico method results can be used to develop new efficient xylanase for pulp bleaching industry. …”
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In silico characterization of phenylacetaldehyde synthase of selected orchids
Published 2025“…This study investigated the phenylacetaldehyde synthase (PAAS) and its homologous proteins in five orchid species: Vanda Mimi Palmer, Phalaenopsis equestris, Dendrobium nobile, Dendrobium candidum, and Iris pallida, using an in silico approach. Amino acid sequences available in the NCBI GenBank were utilized to perform homology modeling and predict PAAS's three-dimensional (3D) structures and related proteins. …”
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In silico characterization of selected orchids related protein
Published 2025“…This study are focusing on in silico characterization of selected orchid’s glycosaminoglycan - related proteins in which to identify the catalytic regions of selected orchids’. …”
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In silico molecular analysis of fructooligosaccaride producing enzymes
Published 2021“…Computational study using in silico molecular analysis was used as alternative approach to discover this potential enzyme.…”
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In silico study of carvone derivatives as potential neuraminidase inhibitors
Published 2018“…Here, we report an in silico study of carvone derivatives to analyze their binding modes with neuraminidase (NA) active sites. …”
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In silico characterization of selected orchids’ hmg-coa reductases
Published 2025“…This study investigated the structure and function of HMGR and its homologous proteins in five orchid species which were Vanda Mimi Palmer, Phalaenopsis equestris, Dendrobium nobile, Dendrobium catenatum, and Vanilla planifolia, using an in silico approach.Amino acid sequences available in the NCBI GenBank were utilized to perform homology modeling and predict the three-dimensional (3D) structures of HMGR and its related proteins. …”
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In silico study of the ErbB4 interactions with curcumin analogs
Published 2015“…Previously, curcumin has also been shown to selectively inhibit EGFR or ErbB1 in in vitro, in vivo as well as in silico studies. However, its inhibitive effect on ErbB4 has not been elucidated. …”
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The study of troglitazone liver toxicity via in vitro and in silico approaches
Published 2022“…Aim: This thesis is aimed at using a combination of in silico and in vitro approaches to evaluate the interaction of TGZ with multiple biological systems and predict the emergent biological pathways in TGZ-induced liver toxicity. …”
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Toward in silico modeling of palladium–hydrogen–carbon nanohorn nanocomposites
Published 2014“…We present the first in silico modeling of the Pd–H-single-walled carbon nanohorn nanocomposites. …”
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