Zobrazeno 1 - 10 of 35 pro vyhledávání: '"VSpipe"'
1
Akademický článek
VSpipe-GUI, an Interactive Graphical User Interface for Virtual Screening and Hit Selection.
Autor: Hussain, Rashid1 (AUTHOR) rashid.bioinfo@gmail.com, Hackett, Andrew Scott1 (AUTHOR) andrew.hackett-2@postgrad.manchester.ac.uk, Álvarez-Carretero, Sandra2 (AUTHOR) sandra.ac93@gmail.com, Tabernero, Lydia1 (AUTHOR) sandra.ac93@gmail.com
Publikováno v: International Journal of Molecular Sciences. Feb2024, Vol. 25 Issue 4, p2002. 16p.
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2
Akademický článek
VSpipe, an Integrated Resource for Virtual Screening and Hit Selection: Applications to Protein Tyrosine Phospahatase Inhibition.
Autor: Álvarez-Carretero, Sandra1,2 sandra.ac93@gmail.com, Pavlopoulou, Niki1,3, Adams, James1, Gilsenan, Jane1, Tabernero, Lydia1 lydia.tabernero@manchester.ac.uk
Publikováno v: Molecules. Feb2018, Vol. 23 Issue 2, p353. 14p. 4 Color Photographs, 2 Diagrams, 1 Chart, 4 Graphs.
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3
Akademický článek
VSpipe, an Integrated Resource for Virtual Screening and Hit Selection: Applications to Protein Tyrosine Phospahatase Inhibition
Autor: Sandra Álvarez-Carretero, Niki Pavlopoulou, James Adams, Jane Gilsenan, Lydia Tabernero
Publikováno v: Molecules, Vol 23, Iss 2, p 353 (2018)
The use of computational tools for virtual screening provides a cost-efficient approach to select starting points for drug development. We have developed VSpipe, a user-friendly semi-automated pipeline for structure-based virtual screening. VSpipe us
Externí odkaz: https://doaj.org/article/d5c03217a7f64082a76ea6a3b9476f17
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5
VSpipe, an Integrated Resource for Virtual Screening and Hit Selection: Applications to Protein Tyrosine Phospahatase Inhibition
Autor: Tabernero, Sandra Álvarez-Carretero, Niki Pavlopoulou, James Adams, Jane Gilsenan, Lydia
Publikováno v: Molecules; Volume 23; Issue 2; Pages: 353
The use of computational tools for virtual screening provides a cost-efficient approach to select starting points for drug development. We have developed VSpipe, a user-friendly semi-automated pipeline for structure-based virtual screening. VSpipe us
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=multidiscipl::4252bafd7165d49b02f53e7ba0bf3886
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6
A New Paradigm for KIM-PTP Drug Discovery: Identification of Allosteric Sites with Potential for Selective Inhibition Using Virtual Screening and LEI Analysis
Autor: Lydia Tabernero, Benjamin P. Thornton, James Adams
Publikováno v: International Journal of Molecular Sciences
International Journal of Molecular Sciences, Vol 22, Iss 12206, p 12206 (2021)
Volume 22
Issue 22
The kinase interaction motif protein tyrosine phosphatases (KIM-PTPs), HePTP, PTPSL and STEP, are involved in the negative regulation of mitogen-activated protein kinase (MAPK) signalling pathways and are important therapeutic targets for a number of
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8eb4c34e3ce82620a083009a13f05df8
https://pubmed.ncbi.nlm.nih.gov/34830087
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7
Identification of Functional and Druggable Sites in Aspergillus fumigatus Essential Phosphatases by Virtual Screening
Autor: Thornton, Benjamin P., Johns, Anna, Al-Shidhani, Reem, Álvarez-Carretero, Sandra, Storer, Isabelle S. R., Bromley, Michael J., Tabernero, Lydia
Publikováno v: Thornton, B P, Johns, A, Al-shidhani, R, Álvarez-carretero, S, Storer, I S R, Bromley, M J & Tabernero, L 2019, ' Identification of Functional and Druggable Sites in Aspergillus fumigatus Essential Phosphatases by Virtual Screening ', International Journal of Molecular Sciences, vol. 20, no. 18, pp. 4636 . https://doi.org/10.3390/ijms20184636
International Journal of Molecular Sciences, Vol 20, Iss 18, p 4636 (2019)
International Journal of Molecular Sciences
Volume 20
Issue 18
Fungal diseases are a serious health burden worldwide with drug resistance compromising efficacy of the limited arsenal of antifungals available. New drugs with novel mechanisms of action are desperately needed to overcome current challenges. The scr
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid_dedup__::c67119b9582cb83d030a805478f45fe1
https://doi.org/10.3390/ijms20184636
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8
Akademický článek
A New Paradigm for KIM-PTP Drug Discovery: Identification of Allosteric Sites with Potential for Selective Inhibition Using Virtual Screening and LEI Analysis.
Autor: Adams, James1 (AUTHOR) jadams_91@hotmail.co.uk, Thornton, Benjamin P.1 (AUTHOR) benjamin.thornton-3@postgrad.manchester.ac.uk, Tabernero, Lydia1,2,3 (AUTHOR) Lydia.Tabernero@manchester.ac.uk
Publikováno v: International Journal of Molecular Sciences. Nov2021, Vol. 22 Issue 22, p12206. 1p.
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