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Virtual Screening of potential drug-like inhibitors against Lysine/DAP pathway of Mycobacterium tuberculosis
2010
BMC Bioinformatics
Conclusion: The above-mentioned virtual screening procedures helped in the identification of several potent candidates that possess inhibitory activity against Mtb DHDPS. ...
Therefore, these novel scaffolds/candidates which could have the potential to inhibit Mtb DHDPS enzyme would represent promising starting points as lead compounds and certainly aid the experimental designing ...
This article has been published as part of BMC Bioinformatics Volume 11 Supplement 1, 2010: Selected articles from the Eighth Asia-Pacific Bioinformatics Conference (APBC 2010). ...
doi:10.1186/1471-2105-11-s1-s53
pmid:20122228
pmcid:PMC3009526
fatcat:sctfr7fggrb2bfc5b654t3yc5m
Rational Design of DNA Nanoarchitectures
2006
Angewandte Chemie International Edition
We thank Kersten Rabe for help with the artwork of the frontispiece. ...
" of the University of Dortmund. ...
superstructures. ...
doi:10.1002/anie.200502358
pmid:16470892
fatcat:ebotbu2ct5bxbg4puwszeraojy
Blind Test of Physics-Based Prediction of Protein Structures
2009
Biophysical Journal
Because these predictions have about the same level of accuracy as typical bioinformatics methods, and do not utilize information from databases of known native structures, this work opens up the possibility ...
Coarse conformational sampling is performed using the zipping and assembly method (ZAM), an approach that is designed to mimic the putative physical routes of protein folding. ...
We appreciate the use of the computing resources provided by the NCSA Supercomputing Center in Illinois, and the UCSF QB3 computing cluster provided by Andrej Sali and his group. ...
doi:10.1016/j.bpj.2008.11.009
pmid:19186130
pmcid:PMC2716649
fatcat:thj6xkyiyvfitcrrsf6uyibih4
P2Rank: machine learning based tool for rapid and accurate prediction of ligand binding sites from protein structure
2018
Journal of Cheminformatics
Conclusions: P2Rank is a new open source software package for ligand binding site prediction from protein structure. ...
P2Rank has a lightweight installation and does not depend on other bioinformatics tools or large structural or sequence databases. ...
Every relevant ligand contributes with equal weight toward the final success rate. ...
doi:10.1186/s13321-018-0285-8
pmid:30109435
fatcat:w6kiu2kl5rar3nyqpbx5l2mrey
Global data for local science: Assessing the scale of data infrastructures in biological and biomedical research
2013
BioSocieties
Grid. ...
At the same time, databases are not deemed successful unless they facilitate the re-use of data towards new scientific discoveries, which often involves engaging with several highly diverse and inherently ...
To support generalizability of the findings, it is necessary to enlarge the population by increasing the number of participants from the chosen institution and/or to include other academic institutions ...
doi:10.1057/biosoc.2013.23
fatcat:oatnrcvej5hlll3knpd7tlpkdu
Coiled-coil oligomerization controls localization of the plasma membrane REMORINs
2018
Journal of Structural Biology
REMORINs are nanodomain-organized proteins located in the plasma membrane ...
Acknowledgments We acknowledge the financial support by the ANR (ANR-13-PDOC-0017-01 to B.H. and ANR-14-CE09-0020-01 to A.L.), the IdEx Bordeaux "Investments for the ...
We have here taken advantage of several biochemical, biophysical and bioinformatic tools to decipher the role and the structure of REMORINs' assembly. ...
doi:10.1016/j.jsb.2018.02.003
pmid:29481850
fatcat:q5vf5rzwe5cgdizr5e6m46ghoi
Practical application of bioinformatics by the multidisciplinary VIZIER consortium
2010
Antiviral Research
From the management of the information flow of the project, to bioinformatics-mediated selection of RNA viruses and prediction of protein targets, to the analysis of 3D protein structures and antiviral ...
This review focuses on bioinformatics technologies employed by the EU-sponsored multidisciplinary VIZIER consortium (Comparative Structural Genomics of Viral Enzymes Involved in Replication, FP6 PROJECT ...
The Viralis development and usage were also partially supported by grants from the Netherlands Bioinformatics Center (BioRangeSP3.2.2) and the Collaborative Agreement in Bioinformatics between LUMC and ...
doi:10.1016/j.antiviral.2010.02.005
pmid:20153379
pmcid:PMC7172516
fatcat:hpnoegkpjzgkbjqy6r6oxl77ga
A survey of protein interaction data and multigenic inherited disorders
2013
BMC Bioinformatics
The accompanying R script can be used to reproduce the work and track progress in this area as databases change. ...
A further 68 disease overlaps were found only in the KEGG pathway database. No single database contained all significant overlaps thus stressing the importance of data integration. ...
Acknowledgments The authors would like to thank Sabry Razick and Paul Boddie for their support with the iRefIndex database. We also thank George Magklaras of EMBNet Norway for technical support. ...
doi:10.1186/1471-2105-14-47
pmid:23398688
pmcid:PMC3598893
fatcat:setd53qtz5bhrd6rh4plwskygm
Efficient production of chimeric Human papillomavirus 16 L1 protein bearing the M2e influenza epitope in Nicotiana benthamiana plants
2011
BMC Biotechnology
Conclusions: In this study, we report for the first time the transient expression and the self-assembly of a chimeric HPV-16 L1 bearing the M2e influenza epitope in plants, representing also the first ...
Results: We investigated the potential of HPV-16 L1 to act as a carrier of two foreign epitopes from Influenza A virus: (i) M2e 2-24 , ectodomain of the M2 protein (M2e), that is highly conserved among ...
Acknowledgements The authors wish to thank the late Dr. R.G. Milne, to whose memory this paper is dedicated, for his contribution in the electron-microscopy work. We also wish to thank Prof. E.P. ...
doi:10.1186/1472-6750-11-106
pmid:22085463
pmcid:PMC3248878
fatcat:ibmfh37ovfctpla527utkiwmo4
Pepsin Digest of Gliadin Forms Spontaneously Amyloid‐Like Nanostructures Influencing the Expression of Selected Pro‐Inflammatory, Chemoattractant, and Apoptotic Genes in Caco‐2 Cells: Implications for Gluten‐Related Disorders
2021
Molecular Nutrition & Food Research
The self-assembly of p-gliadin starts at a concentration of 0.40 μg/ml. ...
This work demonstrates that p-gliadin is interfacial active, forming spontaneously amyloid-type structures that trigger genes in the Caco-2 cell line involved in the recruitment of specialized immune cells ...
Acknowledgements This work was initially funded by the Alexander von Humboldt Foundation ...
doi:10.1002/mnfr.202100200
pmid:34110092
fatcat:43ygot2ddvbndbrzyb3ykdg374
Structural Analysis of Influenza A Virus Matrix Protein M1 and Its Self-Assemblies at Low pH
2013
PLoS ONE
The absence of high-resolution data on the full-length M1 makes the structural investigation of the intact protein particularly important. ...
The NM-domain does not spontaneously self assemble supporting the key role of the C-terminus of M1 in the formation of supramolecular structures. ...
Magretova for the excellent technical assistance.
Author Contributions ...
doi:10.1371/journal.pone.0082431
pmid:24358182
pmcid:PMC3865061
fatcat:s5khghl5kzdglftd6jrxn7lp7a
Nano on reflection
2016
Nature Nanotechnology
reflection A number of experts from different areas of nanotechnology describe how the field has evolved in the last ten years. ...
Bursten is a philosopher, blogger and writer based in the Department of Philosophy, University of Kentucky, USA. ...
The widespread integration of renewable, intermittent energy sources (wind, solar) is dependent on developing efficient low-cost energy storage for load-levelling the electric grid. ...
doi:10.1038/nnano.2016.232
pmid:27703248
fatcat:fotj5wfcgrg5da6akiuit5bbee
Digital Capitalism and Critical Media Education
2021
Seminar.net
The third part discusses the manoeuvres of the IT industry in Germany to gain more influence on the education sector. ...
Against the background of these developments, the last part outlines the need for alternative pathways and presents dimensions of a critical media education.[1] [1] The article is based on two German language ...
It can be assumed that bioinformatics in particular will be heavily courted by various commercial enterprises in the future in order to open up new markets through the use of corresponding technologies ...
doi:10.7577/seminar.4224
fatcat:i67wada7kzhfzch47tgjygafee
The Y. bercovieri Anbu crystal structure sheds light on the evolution of highly (pseudo)symmetric multimers
2018
Journal of Molecular Biology
The crystal structure reveals that YbAnbu subunits form tight dimers, held together in part by the Anbu specific C-terminal helices. ...
However, we could document orthophosphate production from ATP catalyzed by the ATP-grasp protein encoded in the Y. bercovieri Anbu operon. ...
Robert Huber on the occasion of his 80th birthday. ...
doi:10.1016/j.jmb.2017.11.016
pmid:29258816
pmcid:PMC6376114
fatcat:zt7lkwep5zb2rg2iryef5t4t64
A folded conformation of MukBEF and Cohesin
[article]
2018
bioRxiv
pre-print
Bending at the elbow brings into proximity the hinge dimerization domain and the head/kleisin module, situated at opposite ends of the arms. ...
We show that both contain a dynamic coiled-coil discontinuity, the elbow, near the middle of their arms that permits a folded conformation. ...
caused by the grid preparation procedure. ...
doi:10.1101/464701
fatcat:zpceghzznfhszpr7kc34wsxxvy
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