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Article
Is one solution good enough?
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Article
Open AccessComparative modelling by restraint-based conformational sampling
Although comparative modelling is routinely used to produce three-dimensional models of proteins, very few automated approaches are formulated in a way that allows inclusion of restraints derived from experime...
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Article
Missing in action: enzyme functional annotations in biological databases
Annotations of enzyme function provide critical starting points for generating and testing biological hypotheses, but the quality of functional annotations is hindered by uncertain assignments for uncharacteri...
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Article
EC-BLAST: a tool to automatically search and compare enzyme reactions
EC-BLAST is a Web-based tool allowing quantitative similarity searches between enzymes at the levels of bond-change, reaction-center or reaction-structure similarity. The tool may help improve the annotation o...
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Protocol
Complementary Sources of Protein Functional Information: The Far Side of GO
The GO captures many aspects of functional annotations, but there are other alternative complementary sources of protein function information. For example, enzyme functional annotations are described in a rang...
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Article
Genome-wide analysis of multi- and extensively drug-resistant Mycobacterium tuberculosis
To characterize the genetic determinants of resistance to antituberculosis drugs, we performed a genome-wide association study (GWAS) of 6,465 Mycobacterium tuberculosis clinical isolates from more than 30 countr...
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Article
Author Correction: Genome-wide analysis of multi- and extensively drug-resistant Mycobacterium tuberculosis
In the version of this article initially published, the URL listed for TubercuList was incorrect. The correct URL is https://mycobrowser.epfl.ch/. The error has been corrected in the HTML and PDF versions of t...
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Article
Open AccessUnderstanding molecular consequences of putative drug resistant mutations in Mycobacterium tuberculosis
Genomic studies of Mycobacterium tuberculosis bacteria have revealed loci associated with resistance to anti-tuberculosis drugs. However, the molecular consequences of polymorphism within these candidate loci rem...
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Protocol
Exploring Enzyme Evolution from Changes in Sequence, Structure, and Function
The goal of our research is to increase our understanding of how biology works at the molecular level, with a particular focus on how enzymes evolve their functions through adaptations to generate new specific...
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Article
Open AccessPrediction of rifampicin resistance beyond the RRDR using structure-based machine learning approaches
Rifampicin resistance is a major therapeutic challenge, particularly in tuberculosis, leprosy, P. aeruginosa and S. aureus infections, where it develops via missense mutations in gene rpoB. Previously we have hig...
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Article
Open AccessFragment library screening by X-ray crystallography and binding site analysis on thioredoxin glutathione reductase of Schistosoma mansoni
Schistosomiasis is caused by parasites of the genus Schistosoma, which infect more than 200 million people. Praziquantel (PZQ) has been the main drug for controlling schistosomiasis for over four decades, but des...
