Preprints (not yet peer-reviewed)

61 downloads
169 views

Membrane proteins are the most medicinally important yet to be fully exploited pharmaceutical targets. Here druggability analyses are conducted on three different membrane proteins, namely, the human P2Y12 receptor, glycoprotein-41 that mediates the HIV-1 virus...

["Biochemistry","Bioinformatics","Biophysics","Computational Biology"]
doi:10.7287/peerj.preprints.2868v1
363 downloads
268 views

Incorrect snake identification from the observable visual traits is a major reason of death resulting from snake bites. So far no automatic classification method has been proposed to distinguish snakes by deciphering the taxonomy features of snake for the two major...

["Bioinformatics","Computational Biology","Taxonomy","Zoology"]
doi:10.7287/peerj.preprints.2867v1
71 downloads
194 views

Emerging viruses cause a lot of fatalities as they jump to humans from other species. Here we develop a novel technique to computationally estimate an important parameter of within-host viral infection: the lifespan of infected cells. Our approach is general and...

["Bioinformatics","Computational Biology"]
doi:10.7287/peerj.preprints.2621v2
771 downloads
861 views

ATLAS (Automatic Tool for Local Assembly Structures) is a comprehensive multi-omics data analysis pipeline that is massively parallel and scalable. ATLAS contains a modular analysis pipeline for assembly, annotation, quantification and genome binning of metagenomics...

["Bioinformatics","Computational Biology","Data Science","Scientific Computing and Simulation","Software Engineering"]
doi:10.7287/peerj.preprints.2843v1
9 downloads
124 views

Modern biomedical research aims at drawing biological conclusions from large, highly complex biological datasets. Nowadays, it is common practice to make extensive use of high-throughput technologies that produce big amounts of heterogeneous data. In addition to...

["Bioinformatics","Computational Biology","Data Science","Databases","Distributed and Parallel Computing"]
doi:10.7287/peerj.preprints.2839v1
124 downloads
392 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
19 downloads
117 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
26 downloads
188 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
32 downloads
201 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
134 downloads
596 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
897 downloads
803 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
62 downloads
660 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
59 downloads
180 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
41 downloads
238 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
177 downloads
386 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
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