Protein complex prediction by date hub removal.

Abstract:

:Proteins physically interact with each other and form protein complexes to perform their biological functions. The prediction of protein complexes from protein-protein interaction (PPI) network is usually difficult when the complexes are overlapping with each other in a dense region of the network. To address the problem of predicting overlapping complexes, a previously proposed network-decomposition approach is promising. It decomposes a PPI network by e.g. removing proteins with high degree (hubs) which may participate in different complexes. This motivates us to examine a list of proteins, which bind their different partners at different time or at different location (viz. date hubs), manually collected from literature, for network decomposition. Results show that the CMC complex discovery algorithm after removing date hubs recalls more overlapping complexes that were missed earlier. Further improvement in performance is achieved when we predict date hub proteins based on simple network features and remove them from PPI networks.

journal_name

Comput Biol Chem

authors

Pyrogova I,Wong L

doi

10.1016/j.compbiolchem.2018.03.012

subject

Has Abstract

pub_date

2018-06-01 00:00:00

pages

407-419

eissn

1476-9271

issn

1476-928X

pii

S1476-9271(18)30144-0

journal_volume

74

pub_type

杂志文章
  • Mutually exclusive binding of APPL(PH) to BAR domain and Reptin regulates β-catenin dependent transcriptional events.

    abstract::Reptin functions in a wide range of biological processes including chromatin remodelling, nucleolar organization and transcriptional regulation of WNT signalling. As β-catenin dependent transcriptional repression and activation events involve binding of Reptin and histone deacetylase 1 to APPL endocytic proteins, this...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2013.05.005

    authors: Rashid S,Parveen Z,Ferdous S,Bibi N

    更新日期:2013-12-01 00:00:00

  • Indole-derived chalcones as anti-dermatophyte agents: In vitro evaluation and in silico study.

    abstract::A series of indole-derived methoxylated chalcones were described as anti-dermatophyte agents. The in vitro antifungal susceptibility testing against different dermatophytes revealed that most of compounds had potent activity against the dermatophyte strains. In particular, the 4-ethoxy derivative 4d with MIC values of...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2019.107189

    authors: Mirzaei H,Abastabar M,Emami S

    更新日期:2020-02-01 00:00:00

  • Analysis of compensatory substitution and gene evolution on the MAGEA/CSAG-palindrome of the primate X chromosomes.

    abstract::The human X chromosome contains a large number of inverted repeat DNA palindromes. Although arbitrary substitutions destroyed the inverted repeat structure of MAGEA/CSAG-palindrome during the evolutionary process of the primates, most of the substitutions are compensatory. Using maximum parsimony, it is demonstrated t...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2012.11.002

    authors: Qi Y,Lu H,Ai D

    更新日期:2013-02-01 00:00:00

  • Discovery of potential Zika virus RNA polymerase inhibitors by docking-based virtual screening.

    abstract::Zika virus (ZIKV) infection has been associated with Guillain-Barre syndrome in adults and microcephaly in infants. The existence of insufficient structural data in most of the protein databases hinders the synthesis of anti-ZIKV pharmaceutics. In this work, we attempted to model the catalytic domain of the ZIKV RNA p...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2017.10.007

    authors: Singh A,Jana NK

    更新日期:2017-12-01 00:00:00

  • QSAR study of pyrazolo[4,3-e][1,2,4]triazine sulfonamides against tumor-associated human carbonic anhydrase isoforms IX and XII.

    abstract::The QSAR models for a set of pyrazolo[4,3-e][1,2,4]triazines incorporating benzenesulfonamide moiety combined directly with the heterocyclic ring or by NH linkage were generated. The inhibitory potency of compounds against human carbonic anhydrase isoforms IX and XII and antiproliferative activity against human MCF-7 ...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2017.09.006

    authors: Matysiak J,Skrzypek A,Tarasiuk P,Mojzych M

    更新日期:2017-12-01 00:00:00

  • Drug-target interaction prediction by integrating multiview network data.

    abstract::Drug-target interaction (DTI) prediction is a challenging step in further drug repositioning, drug discovery and drug design. The advent of high-throughput technologies brings convenience to the development of DTI prediction methods. With the generation of a high number of data sets, many mathematical models and compu...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2017.03.011

    authors: Zhang X,Li L,Ng MK,Zhang S

    更新日期:2017-08-01 00:00:00

  • Interactions of 2-phenyl-benzotriazole xenobiotic compounds with human Cytochrome P450-CYP1A1 by means of docking, molecular dynamics simulations and MM-GBSA calculations.

    abstract::2-phenyl-benzotriazole xenobiotic compounds (PBTA-4, PBTA-6, PBTA-7 and PBTA-8) that were previously isolated and identified in waters of the Yodo river, in Japan (Nukaya et al., 2001; Ohe et al., 2004; Watanabe et al., 2001) were characterized as powerful pro-mutagens. In order to predict the activation mechanism of ...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2018.04.004

    authors: Mena-Ulecia K,MacLeod-Carey D

    更新日期:2018-06-01 00:00:00

  • Zooming-in on cancer metabolic rewiring with tissue specific constraint-based models.

    abstract::The metabolic rearrangements occurring in cancer cells can be effectively investigated with a Systems Biology approach supported by metabolic network modeling. We here present tissue-specific constraint-based core models for three different types of tumors (liver, breast and lung) that serve this purpose. The core mod...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2016.03.002

    authors: Di Filippo M,Colombo R,Damiani C,Pescini D,Gaglio D,Vanoni M,Alberghina L,Mauri G

    更新日期:2016-06-01 00:00:00

  • Theoretical studies and NMR assay of coumarins and neoflavanones derivatives as potential inhibitors of acetylcholinesterase.

    abstract::Currently Alzheimer's disease (AD) is a devastating neurological disorder that mainly affects the elderly. The treatment of AD has as main objective to increase the levels of ACh in the synaptic cleft by inhibiting the cholinesterase enzymes, which are responsible for the degradation of ACh. Twenty one synthesized cou...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2020.107293

    authors: de Souza LG,Moraes PF,Leão RAC,Costa PRR,Soares RO,Pascutti PG,Figueroa-Villar JD,Rennó MN

    更新日期:2020-05-29 00:00:00

  • Dynamic characterization of HLA-B*44 Alleles: A comparative molecular dynamics simulation study.

    abstract::Human Leukocyte Antigens (HLA) are highly polymorphic proteins that play a key role in the immune system. HLA molecule is present on the cell membrane of antigen-presenting cells of the immune system and presents short peptides, originating from the proteins of invading pathogens or self-proteins, to the T-cell Recept...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2016.02.019

    authors: Ozbek P

    更新日期:2016-06-01 00:00:00

  • Semantically predicting protein functions based on protein functional connectivity.

    abstract:BACKGROUND:The current availability of public protein-protein interaction (PPI) databases which are usually modelled as PPI networks has led to the rapid development of protein function prediction approaches. The existing network-based prediction approaches mainly focus on the topological similarities between immediate...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2013.01.002

    authors: Zhu W,Hou J,Chen YP

    更新日期:2013-06-01 00:00:00

  • From NGS assembly challenges to instability of fungal mitochondrial genomes: A case study in genome complexity.

    abstract::The presence of repetitive or non-unique DNA persisting over sizable regions of a eukaryotic genome can hinder the genome's successful de novo assembly from short reads: ambiguities in assigning genome locations to the non-unique subsequences can result in premature termination of contigs and thus overfragmented assem...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2016.02.016

    authors: Misas E,Muñoz JF,Gallo JE,McEwen JG,Clay OK

    更新日期:2016-04-01 00:00:00

  • The anesthetic action of some polyhalogenated ethers-Monte Carlo method based QSAR study.

    abstract::Up to this date, there has been an ongoing debate about the mode of action of general anesthetics, which have postulated many biological sites as targets for their action. However, postoperative nausea and vomiting are common problems in which inhalational agents may have a role in their development. When a mode of ac...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2018.04.009

    authors: Golubović M,Lazarević M,Zlatanović D,Krtinić D,Stoičkov V,Mladenović B,Milić DJ,Sokolović D,Veselinović AM

    更新日期:2018-08-01 00:00:00

  • Profiling of molecular pathways regulated by microRNA 601.

    abstract::MicroRNAs (miRNAs) have been implicated in complex vertebrate developmental and pathological systems as a versatile class of molecules involved in the regulation of various biological processes and molecular pathways. To elucidate the role of miRNAs in human somatic cells, an understanding of the molecular framework r...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2009.09.003

    authors: Ohdaira H,Nakagawa H,Yoshida K

    更新日期:2009-12-01 00:00:00

  • A benchmark of optimally folded protein structures using integer programming and the 3D-HP-SC model.

    abstract::The Protein Structure Prediction (PSP) problem comprises, among other issues, forecasting the three-dimensional native structure of proteins using only their primary structure information. Most computational studies in this area use synthetic data instead of real biological data. However, the closer to the real-world,...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2019.107192

    authors: Hattori LT,Gutoski M,Vargas Benítez CM,Nunes LF,Lopes HS

    更新日期:2020-02-01 00:00:00

  • Markovian encoding models in human splice site recognition using SVM.

    abstract::Splice site recognition is among the most significant and challenging tasks in bioinformatics due to its key role in gene annotation. Effective prediction of splice site requires nucleotide encoding methods that reveal the characteristics of DNA sequences to provide appropriate features to serve as input of machine le...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2018.02.005

    authors: Pashaei E,Aydin N

    更新日期:2018-04-01 00:00:00

  • Potential protein biomarkers for systemic lupus erythematosus determined by bioinformatics analysis.

    abstract::Systemic lupus erythematosus (SLE) is a heterogeneous autoimmune disorder, and its pathogenesis in males and in cases without accompanying lupus nephritis (LN-) is not fully understood. In this study, we identified 90 (82 up- and 8 downregulated) differentially expressed genes (DEGs) common to female LN-, female LN+ a...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2019.107135

    authors: Kong J,Li L,Zhimin L,Yan J,Ji D,Chen Y,Yuanyuan W,Chen X,Shao H,Wang J,Da Z

    更新日期:2019-12-01 00:00:00

  • Genome-wide identification and expression analysis of SWI1 genes in Boechera species.

    abstract::As a mode of reproduction in plants, apomixis leads to the generation of clones via seeds. Apomictic plants form viable diploid female gametes without meiosis (apomeiosis) and produce embryos without fertilization (parthenogenesis). Apomeiosis, as a major component of apomixis, has recently been reported in some Arabi...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2016.04.004

    authors: Sezer F,Yüzbaşioğlu G,Özbilen A,Taşkin KM

    更新日期:2016-06-01 00:00:00

  • Novel 2,4-disubstituted quinazolines as cytotoxic agents and JAK2 inhibitors: Synthesis, in vitro evaluation and molecular dynamics studies.

    abstract::Recent studies reported the involvement of JAK2/STAT3 pathway in various solid tumours including breast, ovarian, prostate and lung cancers. Clinical literature also reported the lowered burden in breast and ovarian cancers by targeting JAK2 pathway. In this study, a series of novel 2,4-disubstituted quinazolines (2a-...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2019.01.008

    authors: Jyothi Buggana S,Paturi MC,Perka H,Gade DR,Vvs RP

    更新日期:2019-04-01 00:00:00

  • Circular code motifs in the ribosome decoding center.

    abstract::A translation (framing) code based on the circular code was proposed in Michel (2012) with the identification of X circular code motifs (X motifs shortly) in the bacterial rRNA of Thermus thermophilus, in particular in the ribosome decoding center. Three classes of X motifs are now identified in the rRNAs of bacteria ...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2014.08.001

    authors: El Soufi K,Michel CJ

    更新日期:2014-10-01 00:00:00

  • Improving the power to detect differentially expressed genes in comparative microarray experiments by including information from self-self hybridizations.

    abstract::Our ability to detect differentially expressed genes in a microarray experiment can be hampered when the number of biological samples of interest is limited. In this situation, we propose the use of information from self-self hybridizations to acuminate our inference of differential expression. A unified modelling str...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2007.03.005

    authors: Gusnanto A,Tom B,Burns P,Macaulay I,Thijssen-Timmer DC,Tijssen MR,Langford C,Watkins N,Ouwehand W,Berzuini C,Dudbridge F

    更新日期:2007-06-01 00:00:00

  • Molecular dynamics-assisted pharmacophore modeling of caspase-3-isatin sulfonamide complex: Recognizing essential intermolecular contacts and features of sulfonamide inhibitor class for caspase-3 binding.

    abstract::The identification of isatin sulfonamide as a potent small molecule inhibitor of caspase-3 had fuelled the synthesis and characterization of the numerous sulfonamide class of inhibitors to optimize for potency. Recent works that relied on the ligand-based approaches have successfully shown the regions of optimizations...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2017.08.006

    authors: Kumar SP,Patel CN,Jha PC,Pandya HA

    更新日期:2017-12-01 00:00:00

  • The effect of structure on improvement of the PNA Young modulus: A study of steered molecular dynamics.

    abstract::Prefoldin is a molecular chaperone and acts as a nano-actuator in cargo carriage and drug delivery for disease treatment. Investigating the mechanical properties of nano-actuator helps predict its behavior and measure its performance under various environmental conditions, like external forces that are applied. Accord...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2019.107133

    authors: Ghasemi RH,Keramati M,Mojarrad MHS

    更新日期:2019-12-01 00:00:00

  • CAMWI: Detecting protein complexes using weighted clustering coefficient and weighted density.

    abstract::Detection of protein complexes is very important to understand the principles of cellular organization and function. Recently, large protein-protein interactions (PPIs) networks have become available using high-throughput experimental techniques. These networks make it possible to develop computational methods for pro...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2015.07.012

    authors: Lakizadeh A,Jalili S,Marashi SA

    更新日期:2015-10-01 00:00:00

  • WITHDRAWN: Identification of microRNA precursor based on gapped n-tuple structure status composition kernel.

    abstract::This article has been withdrawn at the request of the author(s) and/or editor. The Publisher apologizes for any inconvenience this may cause. The full Elsevier Policy on Article Withdrawal can be found at http://www.elsevier.com/locate/withdrawalpolicy. ...

    journal_title:Computational biology and chemistry

    pub_type: 撤回出版物

    doi:10.1016/j.compbiolchem.2016.02.010

    authors: Liu B,Fang L

    更新日期:2016-02-17 00:00:00

  • BS-RNA: An efficient mapping and annotation tool for RNA bisulfite sequencing data.

    abstract::Cytosine methylation is one of the most important RNA epigenetic modifications. With the development of experimental technology, scientists attach more importance to RNA cytosine methylation and find bisulfite sequencing is an effective experimental method for RNA cytosine methylation study. However, there are only a ...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2016.09.003

    authors: Liang F,Hao L,Wang J,Shi S,Xiao J,Li R

    更新日期:2016-12-01 00:00:00

  • Identification of epilepsy from intracranial EEG signals by using different neural network models.

    abstract::In this work, a framework is provided for identifying intracranial electroencephalography (iEEG) seizures based on discrete wavelet transform (DWT) analysis of iEEG signals using forward propagation and feedback neural networks. The performance of 5 different data sets combination classifications is studied using the ...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2020.107310

    authors: Gong C,Zhang X,Niu Y

    更新日期:2020-06-19 00:00:00

  • Domain boundary prediction based on profile domain linker propensity index.

    abstract::Successful prediction of protein domain boundaries provides valuable information not only for the computational structure prediction of multi-domain proteins but also for the experimental structure determination. In this work, a novel index at the profile level is presented, namely, the profile domain linker propensit...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2006.01.001

    authors: Dong Q,Wang X,Lin L,Xu Z

    更新日期:2006-04-01 00:00:00

  • Biochemical and computational insights of adenosine deaminase inhibition by Epigallocatechin gallate.

    abstract::Epigallocatechin gallate, a flavonoid from Camellia sinensis possess various pharmacological activities such as anticancer, antimicrobial and antioxidant etc. Adenosine deaminase, (ADA), is a key enzyme involved in the purine metabolism, the inhibitors of which is being considered as highly promising candidate for the...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2019.107111

    authors: K G A,C S S,J A,C S

    更新日期:2019-12-01 00:00:00

  • A chaotic approach to maintain the population diversity of genetic algorithm in network training.

    abstract::The concept of chaos being radically different from statistical randomness is introduced into chemometrics research. The chaotic system that is deterministic with underlying patterns and inherent ability in searching the space of interest has been employed to improve the performance of chemometric algorithms. In this ...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/s1476-9271(02)00083-x

    authors: Lü Q,Shen G,Yu R

    更新日期:2003-07-01 00:00:00