Preprints (not yet peer-reviewed)

24 downloads
131 views

MerCat (“ Mer - Cat enate”) is a parallel, highly scalable and modular property software package for robust analysis of features in next-generation sequencing data. Using assembled contigs and raw sequence reads from any platform as input, MerCat performs k-mer...

["Bioinformatics","Computational Biology","Data Science","Scientific Computing and Simulation","Software Engineering"]
doi:10.7287/peerj.preprints.2825v1
1 download
33 views

Introduction Computational reproducibility refers to the possibility of reconstructing all the steps of a workflow that connects raw data, processed data and results: it is a fundamental issue in the omic studies because of the complex and high-dimensional nature...

["Bioinformatics","Computational Biology","Data Science"]
doi:10.7287/peerj.preprints.2823v1
5 downloads
76 views

The importance of histidine tautomerism for an accurate drug/protein structure determination and their relevance for the interaction between biological systems is recognized. Consequently, here we used a recently introduced method to determine the pKa values of...

["Bioinformatics","Biophysics","Computational Biology","Molecular Biology"]
doi:10.7287/peerj.preprints.2816v1
12 downloads
78 views

Hydrolysis of ATP by Na+/K+-ATPase, a P-Type ATPase, catalyzing active Na+ and K+ transport through cellular membranes leads transiently to a phosphorylation of its catalytical α-subunit. Surprisingly, 3-dimensional molecular structure analysis of P-type ATPases...

["Biochemistry","Bioinformatics","Biophysics","Computational Biology","Computational Science"]
doi:10.7287/peerj.preprints.2812v1
96 downloads
383 views

Numerous investigations of bacterial communities using sequence analysis of environmental DNA have revealed extensive diversity of microbial taxa in an array of different environmental habitats. Community analysis based solely on DNA, however, does not reveal whether...

["Computational Biology","Ecology","Microbiology"]
doi:10.7287/peerj.preprints.2051v2
772 downloads
648 views

The past influences the present and future; for example, in computational chemistry, simplifying assumptions and approximations important in the pre-computing era remains relevant today in allowing simulation of larger systems with reasonable amount of computer...

["Biochemistry","Bioengineering","Biophysics","Computational Biology","Computational Science"]
doi:10.7287/peerj.preprints.365v4
50 downloads
494 views

The nonparametric minimum hypergeometric (mHG) test is a popular alternative to Kolmogorov-Smirnov (KS)-type tests for determining gene set enrichment. However, these approaches have not been compared to each other in a quantitative manner. Here, I first perform...

["Computational Biology","Algorithms and Analysis of Algorithms","Data Mining and Machine Learning"]
doi:10.7287/peerj.preprints.1962v3
33 downloads
58 views

CodonGenie, freely available from http://codon.synbiochem.co.uk, is a simple web application for designing ambiguous codons to support protein mutagenesis applications. Ambiguous codons are derived from specific heterogeneous nucleotide mixtures, which create sequence...

["Bioengineering","Bioinformatics","Biotechnology","Computational Biology","Synthetic Biology"]
doi:10.7287/peerj.preprints.2797v1
29 downloads
132 views

Trypanosoma brucei brucei (TBB) belongs to the unicellular parasitic protozoa organisms, specifically to the Trypanosoma genus of the Trypanosomatidae class. A variety of different vertebrate species can be infected by TBB including humans and animals. Under particular...

["Biochemistry","Bioinformatics","Computational Biology","Evolutionary Studies","Parasitology"]
doi:10.7287/peerj.preprints.2775v1
34 downloads
129 views

Background. The availability of large databases containing high resolution three-dimensional (3D) models of proteins in conjunction with functional annotation allows the exploitation of advanced supervised machine learning techniques for automatic protein function...

["Bioinformatics","Computational Biology","Data Mining and Machine Learning"]
doi:10.7287/peerj.preprints.2778v1
8 downloads
122 views

Background. The phytohormone jasmonates (JAs) regulate fundamental plant processes; such as the anthocyanin accumulation during ripening of strawberry, a non-climacteric fruit model. Jasmonoyl-isoleucine (JA-Ile), one of the bioactive JA molecules, mediates binding...

["Biochemistry","Bioinformatics","Computational Biology","Computational Science"]
doi:10.7287/peerj.preprints.2772v1
6 downloads
92 views

Knowledge about the three dimensional structure of proteins is crucial in order to learn about their behavior, stability, or role as a target in drug design. Unfortunately, traditional experimental methods used in structure determination such as X-ray crystallography...

["Bioinformatics","Computational Biology"]
doi:10.7287/peerj.preprints.2768v1
39 downloads
120 views

Cellular heterogeneity is important to biological processes, including cancer and development. However, proteome heterogeneity is largely unexplored because of the limitations of existing methods for quantifying protein levels in single cells. To alleviate these...

["Biochemistry","Cell Biology","Computational Biology","Developmental Biology","Molecular Biology"]
doi:10.7287/peerj.preprints.2767v1
27 downloads
318 views

Background. Opsin proteins are seven transmembrane receptor proteins which detect light. Opsins can be classified into two types and share little sequence identity: type 1, typically found in bacteria, and type 2, primarily characterized in metazoa. The type 2...

["Bioinformatics","Computational Biology","Evolutionary Studies","Genomics","Mycology"]
doi:10.7287/peerj.preprints.2397v2
26 downloads
152 views

The scientific literature contains an historic record of the changing ways in which we describe the world. Shifts in understanding of scientific concepts are reflected in the introduction of new terms and the changing usage and context of existing ones. We conducted...

["Biodiversity","Bioinformatics","Computational Biology","Computational Science"]
doi:10.7287/peerj.preprints.2747v1
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