Výsledky vyhledávání - "Protein pockets"

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A novel protein descriptor for the prediction of drug binding sites

Autor: Mingjian Jiang, Zhen Li, Yujie Bian, Zhiqiang Wei

Publikováno v: BMC Bioinformatics, Vol 20, Iss 1, Pp 1-13 (2019)

Abstract Background Binding sites are the pockets of proteins that can bind drugs; the discovery of these pockets is a critical step in drug design. With the help of computers, protein pockets prediction can save manpower and financial resources. Res

Externí odkaz: https://doaj.org/article/afe2741199c545a597e050601435a491

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P2Rank: machine learning based tool for rapid and accurate prediction of ligand binding sites from protein structure

Autor: Radoslav Krivák, David Hoksza

Publikováno v: Journal of Cheminformatics, Vol 10, Iss 1, Pp 1-12 (2018)

Abstract Background Ligand binding site prediction from protein structure has many applications related to elucidation of protein function and structure based drug discovery. It often represents only one step of many in complex computational drug des

Externí odkaz: https://doaj.org/article/34715cd7cb01436e9a681b511d5677a9

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An enumerative algorithm for de novo design of proteins with diverse pocket structures

Autor: Frank DiMaio, Asim K. Bera, Christoffer Norn, Cameron M. Chow, Lauren Carter, Benjamin Basanta, David Baker, Inna Goreshnik, Matthew J. Bick

Publikováno v: Proceedings of the National Academy of Sciences of the United States of America

Significance Reengineering naturally occurring proteins to have new functions has had considerable impact on industrial and biomedical applications, but is limited by the finite number of known proteins. A promise of de novo protein design is to gene

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8030e9a2e291c5d9a6ba29029012191c
http://europepmc.org/articles/PMC7486743

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Dynamic Combinatorial Chemistry to Identify Binders of ThiT, an S-Component of the Energy-Coupling Factor Transporter for Thiamine

Autor: Lotteke J Y M Swier, Anna K. H. Hirsch, Dirk Jan Slotboom, Leticia Monjas, Inda Setyawati

Publikováno v: Chemmedchem
ChemMedChem, 12(20), 1693-1696. WILEY-V C H VERLAG GMBH

We applied dynamic combinatorial chemistry (DCC) to identify ligands of ThiT, the S‐component of the energy‐coupling factor (ECF) transporter for thiamine in Lactococcus lactis. We used a pre‐equilibrated dynamic combinatorial library (DCL) and

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::25b9e406cfc92a1a979a5079fcadb571

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P2Rank: machine learning based tool for rapid and accurate prediction of ligand binding sites from protein structure

Autor: Krivák, Radoslav, Hoksza, David

Publikováno v: Journal of Cheminformatics, Vol 10, Iss 1, Pp 1-12 (2018)
Journal of Cheminformatics

Background Ligand binding site prediction from protein structure has many applications related to elucidation of protein function and structure based drug discovery. It often represents only one step of many in complex computational drug design effor

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid_dedup__::49158dd6c63de2d68ab8b193e8a6167a
http://link.springer.com/article/10.1186/s13321-018-0285-8

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A novel protein descriptor for the prediction of drug binding sites

Autor: Zhen Li, Mingjian Jiang, Zhiqiang Wei, Yujie Bian

Publikováno v: BMC Bioinformatics, Vol 20, Iss 1, Pp 1-13 (2019)
BMC Bioinformatics

Background Binding sites are the pockets of proteins that can bind drugs; the discovery of these pockets is a critical step in drug design. With the help of computers, protein pockets prediction can save manpower and financial resources. Results In t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2cf2d01f5e956ff37fe074a1dcc896df
https://doi.org/10.1186/s12859-019-3058-0

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A Fast Algorithm to Compute Conical Pockets in Proteins. Application to the Structural Characterization of γ -Carbonic Anhydrases

Autor: Michel Petitjean

Publikováno v: Molecular Informatics
Molecular Informatics, Wiley-VCH, 2017, 36 (10), pp.1600155. ⟨10.1002/minf.201600155⟩

Free version for readers: https://rdcu.be/bBSHx (link created by Wiley: see http://olabout.wiley.com/WileyCDA/Section/id-826716.html); downloads, prints and copies are for subscribers only (see http://olabout.wiley.com/WileyCDA/Section/id-829333.html

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f59401da9fc077dbf199303f2622ceb7
https://hal.archives-ouvertes.fr/hal-02129118

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