ProSTRIP: A method to find similar structural repeats in three-dimensional protein structures.

Abstract:

:The occurrence of similar structural repeats in a protein structure has evolved through gene duplication. These repeats act as a structural building block and form more than one compact structural and functional unit called a repeat domain. The protein families comprising similar structural repeats are mainly involved in protein-protein interactions as well as binding to other ligand molecules. The identification of internal sequence repeats in the primary structure is not sufficient for the analysis of structural repeats. Thus, a new method called ProSTRIP has been developed using dynamic programming to find the similar structural repeats in a three-dimensional protein structure. The detection of these repeats is made by calculating the protein backbone Calpha angles. An internet computing server is also created by implementing this method and enables graphical visualization of the results. It can be freely accessed at http://cluster.physics.iisc.ernet.in/prostrip/.

journal_name

Comput Biol Chem

authors

Sabarinathan R,Basu R,Sekar K

doi

10.1016/j.compbiolchem.2010.03.006

subject

Has Abstract

pub_date

2010-04-01 00:00:00

pages

126-30

issue

2

eissn

1476-9271

issn

1476-928X

pii

S1476-9271(10)00022-8

journal_volume

34

pub_type

杂志文章
  • Generating SNP barcode to evaluate SNP-SNP interaction of disease by particle swarm optimization.

    abstract::Genome-wide association analysis involved many single-nucleotide polymorphisms (SNPs) data is challenging mathematically and computationally. Hence, we propose the odds ratio-based discrete binary particle swarm optimization (OR-DBPSO) method that uses the OR as a new quantitative measure of disease risk among many SN...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2008.07.029

    authors: Chang HW,Yang CH,Ho CH,Wen CH,Chuang LY

    更新日期:2009-02-01 00:00:00

  • Physical quantity of residue electrostatic energy in flavin mononucleotide binding protein dimer.

    abstract::The electrostatic (ES) energy of each residue was for the first time quantitatively evaluated in a flavin mononucleotide binding protein (FBP). A residue electrostatic energy (RES) was obtained as the sum of the ES energies between atoms in each residue and all other atoms in the FBP dimer using atomic coordinates obt...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2018.01.001

    authors: Nunthaboot N,Nueangaudom A,Lugsanangarm K,Pianwanit S,Kokpol S,Tanaka F

    更新日期:2018-02-01 00:00:00

  • DNA strand break: structural and electrostatic properties studied by molecular dynamics simulation.

    abstract::Due to their lethal consequences and a relatively high probability of introduction of repair errors and mutations, single and double strand breaks are among the most important and dangerous DNA lesions. However, the mechanisms of their recognition and repair processes are only poorly known at present. This work define...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2005.12.001

    authors: Bunta JK,Laaksonen A,Pinak M,Nemoto T

    更新日期:2006-04-01 00:00:00

  • Exploiting the performance of dictionary-based bio-entity name recognition in biomedical literature.

    abstract::Bio-entity name recognition is the key step for information extraction from biomedical literature. This paper presents a dictionary-based bio-entity name recognition approach. The approach expands the bio-entity name dictionary via the Abbreviation Definitions identifying algorithm, improves the recall rate through th...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2008.03.008

    authors: Yang Z,Lin H,Li Y

    更新日期:2008-08-01 00:00:00

  • Structure based pharmacophore study to identify possible natural selective PARP-1 trapper as anti-cancer agent.

    abstract::Inhibition of poly(ADP-ribose) polymerase-1 (PARP-1) has turned out an innovative approach for cancer therapy due to its involvement in DNA repair pathways. Although several potent PARP-1 inhibitors have been identified, they exhibit high toxicity, resistivity and diverse pharmacological profile in clinical trials, wh...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2019.04.018

    authors: Kumar C,P T V L,Arunachalam A

    更新日期:2019-06-01 00:00:00

  • GeneMCL in microarray analysis.

    abstract::Accurately and reliably identifying the actual number of clusters present with a dataset of gene expression profiles, when no additional information on cluster structure is available, is a problem addressed by few algorithms. GeneMCL transforms microarray analysis data into a graph consisting of nodes connected by edg...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2005.07.002

    authors: Samuel Lattimore B,van Dongen S,Crabbe MJ

    更新日期:2005-10-01 00:00:00

  • Computational identification of novel microRNA homologs in the chimpanzee genome.

    abstract::MicroRNAs are important negative regulators of gene expression in higher eukaryotes. The miRNA repertoire of the closest human animal relative, the chimpanzee (Pan troglodytes), is largely unknown. In this study, we focused on computational search of novel miRNA homologs in chimpanzee. We have searched and analyzed th...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2008.07.024

    authors: Baev V,Daskalova E,Minkov I

    更新日期:2009-02-01 00:00:00

  • Pharmacoinformatics exploration of polyphenol oxidases leading to novel inhibitors by virtual screening and molecular dynamic simulation study.

    abstract::Polyphenol oxidases (PPOs)/tyrosinases are metal-dependent enzymes and known as important targets for melanogenesis. Although considerable attempts have been conducted to control the melanin-associated diseases by using various inhibitors. However, the exploration of the best anti-melanin inhibitor without side effect...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2017.02.012

    authors: Hassan M,Abbas Q,Ashraf Z,Moustafa AA,Seo SY

    更新日期:2017-06-01 00:00:00

  • Discovery of potential inhibitor against human acetylcholinesterase: a molecular docking and molecular dynamics investigation.

    abstract::Alzheimer's disease (AD) is a progressive neurodegenerative disease of central nervous system among elderly people. Human acetylcholinesterase (hAChE), an important enzyme in neuronal signaling, is responsible for the degradation of acetylcholine which in turn prevents the post synaptic signal transmissions. hAChE has...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2017.04.002

    authors: Singh SP,Gupta D

    更新日期:2017-06-01 00:00:00

  • Principles of rapid polymerase chain reactions: mathematical modeling and experimental verification.

    abstract::Polymerase chain reaction (PCR) is an important diagnostic tool for the amplification of DNA. The PCR process can be treated as a problem in biochemical engineering. This study focuses on the development of a mathematical model of the polymerase chain reaction. The PCR process consists of three steps: denaturation of ...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2004.03.001

    authors: Whitney SE,Sudhir A,Nelson RM,Viljoen HJ

    更新日期:2004-07-01 00:00:00

  • Computer evaluation of VirE2 protein complexes for ssDNA transfer ability.

    abstract::The single-stranded transfer DNA from the Ti plasmid of the soil bacteria Agrobacterium nonspecifically integrates into the plant chromosome and is inherited at subsequent cell divisions. How it is transferred across host membranes is unknown, but it is believed that VirE2 proteins form a membrane-spanning pore or cha...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2017.01.016

    authors: Volokhina I,Gusev Y,Mazilov S,Moiseeva Y,Chumakov M

    更新日期:2017-06-01 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

  • NSAMD: A new approach to discover structured contiguous substrings in sequence datasets using Next-Symbol-Array.

    abstract::In many sequence data mining applications, the goal is to find frequent substrings. Some of these applications like extracting motifs in protein and DNA sequences are looking for frequently occurring approximate contiguous substrings called simple motifs. By approximate we mean that some mismatches are allowed during ...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2016.09.001

    authors: Pari A,Baraani A,Parseh S

    更新日期:2016-10-01 00:00:00

  • Genome-wide predicting disease-related protein complexes by walking on the heterogeneous network based on data integration and laplacian normalization.

    abstract:BACKGROUND:Associating protein complexes to human inherited diseases is critical for better understanding of biological processes and functional mechanisms of the disease. Many protein complexes have been identified and functionally annotated by computational and purification methods so far, however, the particular rol...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2017.04.007

    authors: Liu Z,Luo J

    更新日期:2017-08-01 00:00:00

  • In silico structural and functional analysis of Mesorhizobium ACC deaminase.

    abstract::Nodulation is one of the very important processes of legume plants as it is the initiating event of fixing nitrogen. Although ethylene has essential role in normal plant metabolism but it has also negative impact on plants particularly in nodule formation in legume plants. It is also produced due to a variety of bioti...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2017.02.005

    authors: Pramanik K,Soren T,Mitra S,Maiti TK

    更新日期:2017-06-01 00:00:00

  • Exploring two-dimensional graphene and boron-nitride as potential nanocarriers for cytarabine and clofarabine anti-cancer drugs.

    abstract::Development in two-dimensional (2D) drug-delivery materials have quickly translated into biological and pharmacological fields. In this present work, pristine graphene (PG) and hexagonal boron nitride (h-BN) sheets are explored as a drug carrier for cytarabine (CYT) and clofarabine (CLF) anti-cancer drugs using densit...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2020.107334

    authors: Saravanan V,Rajamani A,Subramani M,Ramasamy S

    更新日期:2020-10-01 00:00:00

  • Chemical reaction optimization for solving shortest common supersequence problem.

    abstract::Shortest common supersequence (SCS) is a classical NP-hard problem, where a string to be constructed that is the supersequence of a given string set. The SCS problem has an enormous application of data compression, query optimization in the database and different bioinformatics activities. Due to NP-hardness, the exac...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2016.05.004

    authors: Khaled Saifullah CM,Rafiqul Islam M

    更新日期:2016-10-01 00:00:00

  • New insights on gene regulation in archaea.

    abstract::Archaea represent an important and vast domain of life. This cellular domain includes a large diversity of organisms characterized as prokaryotes with basal transcriptional machinery similar to eukarya. In this work we explore the most recent findings concerning the transcriptional regulatory organization in archaeal ...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章,评审

    doi:10.1016/j.compbiolchem.2011.10.006

    authors: Tenorio-Salgado S,Huerta-Saquero A,Perez-Rueda E

    更新日期:2011-12-14 00:00:00

  • Genome-wide analysis of magnesium transporter genes in Solanum lycopersicum.

    abstract::Magnesium (Mg) is an important micronutrient for various physiological processes in plants. In this study, putative Magnesium Transporter (MGT) genes have been identified in Solanum lycopersicum, Solanum tuberosum, Brachypodium distachyon, Fagaria vesca, Brassica juncea and were classified into 5 distinct groups based...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2019.05.014

    authors: Regon P,Chowra U,Awasthi JP,Borgohain P,Panda SK

    更新日期:2019-06-01 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

  • 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

  • Carboxylic acid derivatives display potential selectivity for human histone deacetylase 6: Structure-based virtual screening, molecular docking and dynamics simulation studies.

    abstract::Human histone deacetylase 6 (HDAC6) has been shown to play a major role in oncogenic cell transformation via deacetylation of α-tubulin, making it a viable target of anticancer drug design and development. The crystal structure of HDAC6 catalytic domain 2 has been recently made available, providing avenues for structu...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2018.05.004

    authors: Uba AI,Yelekçi K

    更新日期:2018-08-01 00:00:00

  • An improved chemical reaction optimization algorithm for solving the shortest common supersequence problem.

    abstract::The shortest common supersequence (SCS) problem is a classical NP-hard problem, which is normally solved by heuristic algorithms. One important heuristic that is inspired by the process of chemical reactions in nature is the chemical reaction optimization (CRO) and its algorithm known as CRO_SCS. In this paper we prop...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2020.107327

    authors: Luo F,Chen C,Fuentes J

    更新日期:2020-10-01 00:00:00

  • Automated prediction of three-way junction topological families in RNA secondary structures.

    abstract::We present an algorithm for automatically predicting the topological family of any RNA three-way junction, given only the information from the secondary structure: the sequence and the Watson-Crick pairings. The parameters of the algorithm have been determined on a data set of 33 three-way junctions whose 3D conformat...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2011.11.001

    authors: Lamiable A,Barth D,Denise A,Quessette F,Vial S,Westhof E

    更新日期:2012-04-01 00:00:00

  • Comprehensive comparison of two protein family of P-ATPases (13A1 and 13A3) in insects.

    abstract::The P-type ATPases (P-ATPases) are present in all living cells where they mediate ion transport across membranes on the expense of ATP hydrolysis. Different ions which are transported by these pumps are protons like calcium, sodium, potassium, and heavy metals such as manganese, iron, copper, and zinc. Maintenance of ...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2017.04.006

    authors: Seddigh S

    更新日期:2017-06-01 00:00:00

  • Why does beta-secretase zymogen possess catalytic activity? Molecular modeling and molecular dynamics simulation studies.

    abstract::Beta-secretase is a potential target for inhibitory drugs against Alzheimer's disease as it cleaves amyloid precursor protein (APP) to form insoluble amyloid plaques and vascular deposits in the brain. Beta-secretase is matured from its precursor protein, called beta-secretase zymogen, which, different from most of ot...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2007.03.007

    authors: Zuo Z,Gang C,Zou H,Mok PC,Zhu W,Chen K,Jiang H

    更新日期:2007-06-01 00:00:00

  • Multiscale modelling to understand the self-assembly mechanism of human β2-adrenergic receptor in lipid bilayer.

    abstract::The long perceived notion that G-Protein Coupled Receptors (GPCRs) function in monomeric form has recently been changed by the description of a number of GPCRs that are found in oligomeric states. The mechanism of GPCR oligomerization, and its effect on receptor function, is not well understood. In the present study, ...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2013.11.002

    authors: Ghosh A,Sonavane U,Joshi R

    更新日期:2014-02-01 00:00:00

  • Computational characterization and design of SARS coronavirus receptor recognition and antibody neutralization.

    abstract::The sequential determination of crystal structures of the SARS coronavirus spike receptor-binding domain (RBD) in complex with its cellular receptor or neutralizing antibody opened a door for the design and development of antiviral competitive inhibitors. Based on those complex structures, we conduct computational cha...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2007.02.005

    authors: Zhang Y,Zheng N,Zhong Y

    更新日期:2007-04-01 00:00:00

  • Structure-based virtual screening of influenza virus RNA polymerase inhibitors from natural compounds: Molecular dynamics simulation and MM-GBSA calculation.

    abstract::The resistances of matrix protein 2 (M2) protein inhibitors and neuraminidase inhibitors for influenza virus have attracted much attention and there is an urgent need for new drug. The antiviral drugs that selectively act on RNA polymerase are less prone to resistance and possess fewer side effects on the patient. The...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2020.107241

    authors: Jin Z,Wang Y,Yu XF,Tan QQ,Liang SS,Li T,Zhang H,Shaw PC,Wang J,Hu C

    更新日期:2020-04-01 00:00:00

  • Repurposing approved drugs as potential inhibitors of 3CL-protease of SARS-CoV-2: Virtual screening and structure based drug design.

    abstract::3CL proteases (3CLpro) are only found in RNA viruses and have a central role in polyprotein processing during replication. Therefore, 3CLpro has emerged as promising drug target for therapeutic treatment of infections caused by Coronaviruses. In the light of the recent major outbreak of the SARS-CoV-2 virus and the co...

    journal_title:Computational biology and chemistry

    pub_type: 杂志文章

    doi:10.1016/j.compbiolchem.2020.107351

    authors: Meyer-Almes FJ

    更新日期:2020-10-01 00:00:00