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Alignment-free method for functional annotation of amino acid substitutions: Application on epigenetic factors involved in hematologic malignancies
(PLOS One, 2021)
For the last couple of decades, there has been a significant growth in sequencing data, leading to an extraordinary increase in the number of gene variants. This places a challenge on the bioinformatics research community ...
Activity to Breast Cancer Cell Lines of Different Malignancy and Predicted Interaction with Protein Kinase C Isoforms of Royleanones
(International Journal of Molecular Sciences, 2020)
Plants have been used for centuries to treat several illnesses. The Plectranthus genus has a vast variety of species that has allowed the isolation of cytotoxic compounds with notable activities. The abietane diterpenes ...
Critical assessment of protein intrinsic disorder prediction
(Nature Methods, 2021)
Intrinsically disordered proteins, defying the traditional protein structure–function paradigm, are a challenge to study experimentally. Because a large part of our knowledge rests on computational predictions, it is crucial ...
Arginase Flavonoid Anti-Leishmanial in Silico Inhibitors Flagged against Anti-Targets
(Molecules, 2016)
Arginase, a drug target for the treatment of leishmaniasis, is involved in the biosynthesis of polyamines. Flavonoids are interesting natural compounds found in many foods and some of them may inhibit this enzyme. The ...
Tally-2.0: upgraded validator of tandem repeat detection in protein sequences
(Bioinformatics, 2020)
Motivation: Proteins containing tandem repeats (TRs) are abundant, frequently fold in elongated non-globular structures and perform vital functions. A number of computational tools have been developed to detect TRs in ...
DisProt in 2022: improved quality and accessibility of protein intrinsic disorder annotation
(Nucleic acids research, 2022)
The Database of Intrinsically Disordered Proteins (DisProt, URL: https://disprot.org) is the major repository of manually curated annotations of intrinsically disordered proteins and regions from the literature. We report ...
In vitro anti-influenza activity of in silico repurposed candidate drug Cycrimine
(Antiviral Therapy, 2020)
Background: Due to the limitations of current antiviral therapies because of drug resistance and the emergence of new circulating viral strains, novel effective antivirals are urgently needed. Results of the previous drug ...
The gene regulation knowledge commons: the action area of GREEKC
(Biochimica et Biophysica Acta (BBA) - Gene Regulatory Mechanisms, 2022)
As computational modeling becomes more essential to analyze and understand biological regulatory mechanisms, governance of the many databases and knowledge bases that support this domain is crucial to guarantee reliability ...
In Silico Investigation of Selected Pesticides and Their Determination in Agricultural Products Using QuEChERS Methodology and HPLC-DAD
(International Journal of Molecular Sciences, 2023)
In this study, we considered some pesticides as active substances within formulations for the protection of plant-based food in the Republic of Serbia in silico, because these pesticides have not often been investigated ...
In Silico and In Vitro Inhibition of SARS-CoV-2 PLpro with Gramicidin D
(International Journal of Molecular Sciences, 2023)
Finding an effective drug to prevent or treat COVID-19 is of utmost importance in tcurrentpandemic. Since developing a new treatment takes a significant amount of time, drug repurposingcan be an effective option for achieving ...