Genetic algorithm with a crossover elitist preservation mechanism for protein-ligand docking.

Abstract:

:Protein-ligand docking plays an important role in computer-aided pharmaceutical development. Protein-ligand docking can be defined as a search algorithm with a scoring function, whose aim is to determine the conformation of the ligand and the receptor with the lowest energy. Hence, to improve an efficient algorithm has become a very significant challenge. In this paper, a novel search algorithm based on crossover elitist preservation mechanism (CEP) for solving protein-ligand docking problems is proposed. The proposed algorithm, namely genetic algorithm with crossover elitist preservation (CEPGA), employ the CEP to keep the elite individuals of the last generation and make the crossover more efficient and robust. The performance of CEPGA is tested on sixteen molecular docking complexes from RCSB protein data bank. In comparison with GA, LGA and SODOCK in the aspects of lowest energy and highest accuracy, the results of which indicate that the CEPGA is a reliable and successful method for protein-ligand docking problems.

journal_name

AMB Express

journal_title

AMB Express

authors

Guan B,Zhang C,Ning J

doi

10.1186/s13568-017-0476-0

subject

Has Abstract

pub_date

2017-09-13 00:00:00

pages

174

issue

1

issn

2191-0855

pii

10.1186/s13568-017-0476-0

journal_volume

7

pub_type

杂志文章
  • Microbial community structure of two freshwater sponges using Illumina MiSeq sequencing revealed high microbial diversity.

    abstract::Sponges are primitive metazoans that are known to harbour diverse and abundant microbes. All over the world attempts are being made to exploit these microbes for their biotechnological potential to produce, bioactive compounds and antimicrobial peptides. However, the majority of the studies are focussed on the marine ...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-016-0211-2

    authors: Gaikwad S,Shouche YS,Gade WN

    更新日期:2016-12-01 00:00:00

  • Purification and characterization of hydroquinone dioxygenase from Sphingomonas sp. strain TTNP3.

    abstract:: Hydroquinone-1,2-dioxygenase, an enzyme involved in the degradation of alkylphenols in Sphingomonas sp. strain TTNP3 was purified to apparent homogeneity. The extradiol dioxygenase catalyzed the ring fission of hydroquinone to 4-hydroxymuconic semialdehyde and the degradation of chlorinated and several alkylated hydr...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/2191-0855-1-8

    authors: Kolvenbach BA,Lenz M,Benndorf D,Rapp E,Fousek J,Vlcek C,Schäffer A,Gabriel FL,Kohler HP,Corvini PF

    更新日期:2011-05-27 00:00:00

  • Enzyme additives influence bacterial communities of Medicago sativa silage as determined by Illumina sequencing.

    abstract::The goal of the present study was to evaluate the effects of enzymes (cellulase combined with galactosidase) and their combination with Lactobacillus plantarum (LP) on bacterial diversity in alfalfa silages using high-throughput sequencing. Alfalfa forages were treated with or without cellulase + ɑ-galactosidase (CEGA...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-020-01158-5

    authors: Hu Z,Ma D,Niu H,Chang J,Yu J,Tong Q,Li S

    更新日期:2021-01-06 00:00:00

  • iTRAQ-based quantitative proteomic analysis of peripheral blood serum in piglets infected with Actinobacillus pleuropneumoniae.

    abstract::Porcine pleuropneumonia caused by Actinobacillus pleuropneumoniae (APP) is a swine respiratory disease with an important impact around the world either as a single infection or part of the porcine respiratory disease complex. The data of interaction between hosts and pathogens has becoming more crucial for exploration...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-020-01057-9

    authors: Zhu R,Bao C,Liu B,Xiao J,Sun C,Feng X,Langford PR,Li Y,Lei L

    更新日期:2020-07-06 00:00:00

  • Genomic insights into a robust gamma-aminobutyric acid-producer Lactobacillus brevis CD0817.

    abstract::Lactobacillus brevis CD0817, a strain isolated from a healthy adult gut, was currently the most efficient lactic acid bacterial cell factory for gamma-aminobutyric acid. In this study, the complete genome sequence of CD0817 was determined and compared with some related L. brevis genomes. The CD0817 genome consists of ...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-019-0799-0

    authors: Gao D,Chang K,Ding G,Wu H,Chen Y,Jia M,Liu X,Wang S,Jin Y,Pan H,Li H

    更新日期:2019-05-24 00:00:00

  • Metagenomic analysis reveals potential interactions in an artificial coculture.

    abstract::Disentangling the interactions between cyanobacteria and associated bacterial community is important for understanding the mechanisms that mediate the formation of cyanobacterial blooms in freshwater ecosystems. Despite the fact that a metagenomic approach enables researchers to profile the structure of microbial comm...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-017-0490-2

    authors: Ren M,Zhang G,Ye Z,Qiao Z,Xie M,Lin Y,Li T,Zhao J

    更新日期:2017-11-02 00:00:00

  • The two-component system CepRS regulates the cephamycin C biosynthesis in Streptomyces clavuligerus F613-1.

    abstract::During industrial fermentation, Streptomyces clavuligerus F613-1 simultaneously produces primary product clavulanic acid (CA) and cephamycin C. The cephamycin C biosynthetic gene cluster and pathway have been basically elucidated and the CcaR positive regulator was found to control the cephamycin genes expression. How...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-019-0844-z

    authors: Fu J,Qin R,Zong G,Zhong C,Zhang P,Kang N,Qi X,Cao G

    更新日期:2019-07-27 00:00:00

  • Poly-L-gamma-glutamic acid production by recombinant Bacillus subtilis without pgsA gene.

    abstract::Poly-gamma-glutamic acid (PGA) is a promising bio-based polymer that shares many functions with poly (acrylic acid) and its derivatives. Thus, technologies for efficient production and molecular size control of PGA are required to expand the application of this useful biopolymer. In Bacillus strains, PGA is synthesize...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-018-0636-x

    authors: Sawada K,Araki H,Takimura Y,Masuda K,Kageyama Y,Ozaki K,Hagihara H

    更新日期:2018-07-03 00:00:00

  • Glucose limited feed strategy leads to increased production of fusicocca-2,10(14)-diene by Saccharomyces cerevisiae.

    abstract::Fusicocca-2,10(14)-diene (FCdiene) is a diterpene which is interesting as a precursor of the anti-cancer drug fusicoccin A and therefore for pharmaceutical applications. Production of FCdiene using a genetically modified Saccharomyces cerevisiae has been previously demonstrated with batch cultivations with a product c...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-018-0662-8

    authors: Halka LM,Nowacki C,Kleinschmidt A,Koenen K,Wichmann R

    更新日期:2018-08-22 00:00:00

  • Methanogenic biodegradation of C9 to C12n-alkanes initiated by Smithella via fumarate addition mechanism.

    abstract::In the present study, a methanogenic alkane-degrading (a mixture of C9 to C12n-alkanes) culture enriched from production water of a low-temperature oil reservoir was established and assessed. Significant methane production was detected in the alkane-amended enrichment cultures compared with alkane-free controls over a...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-020-0956-5

    authors: Ji JH,Zhou L,Mbadinga SM,Irfan M,Liu YF,Pan P,Qi ZZ,Chen J,Liu JF,Yang SZ,Gu JD,Mu BZ

    更新日期:2020-02-01 00:00:00

  • Microbial production of Propionic and Succinic acid from Sorbitol using Propionibacterium acidipropionici.

    abstract::Three sequential fermentative batches were carried out with cell recycle in four simultaneously operating bioreactors maintained at pH 6.5, 30°C, and 100 rpm. P. acidipropionici ATCC 4875 was able to produce propionic and succinic acid from sorbitol. The concentration of propionic acid decreased slightly from 39.5 ± 5...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-015-0095-6

    authors: Duarte JC,Valença GP,Moran PJ,Rodrigues JA

    更新日期:2015-02-20 00:00:00

  • Expression and regulation of phenol-soluble modulins and enterotoxins in foodborne Staphylococcus aureus.

    abstract::Although high levels of staphylococcal phenol-soluble modulins (PSMs) in clinical methicillin-resistant Staphylococcus aureus (MRSA) has been shown to correlate with bacterial virulence, the PSMs expression in foodborne Staphylococcus aureus (S. aureus), as well as its association with staphylococcal food poisoning (S...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-018-0717-x

    authors: Wu X,Yang M,Fang X,Zhen S,Zhang J,Yang X,Qiao L,Yang Y,Zhang C

    更新日期:2018-11-22 00:00:00

  • Taxonomic identification of the thermotolerant and fast-growing fungus Lichtheimia ramosa H71D and biochemical characterization of the thermophilic xylanase LrXynA.

    abstract::The zygomycete fungus Lichtheimia ramosa H71D, isolated from sugarcane bagasse compost, was identified by applying phylogenetic analysis based on the DNA sequence of the Internal Transcribed Spacer (ITS), and subsequent secondary structure analysis of ITS2. L. ramosa H71D was able to grow over a wide range of temperat...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-017-0494-y

    authors: Alvarez-Zúñiga MT,Santiago-Hernández A,Rodríguez-Mendoza J,Campos JE,Pavón-Orozco P,Trejo-Estrada S,Hidalgo-Lara ME

    更新日期:2017-11-02 00:00:00

  • The heat shock protein 70 gene as a new alternative molecular marker for the taxonomic identification of Streptomyces strains.

    abstract::With the developments in taxonomy, the classically used highly conserved 16S rRNA molecular marker has shown some disadvantages among closely related species. For further taxonomic studies of the prokaryotes, specific PCR primers were designed from two conserved regions in the amino acid sequences of the 70-kDa heat s...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-018-0674-4

    authors: Hu Y,Sun F,Liu W

    更新日期:2018-09-10 00:00:00

  • Genome features of Pseudomonas putida LS46, a novel polyhydroxyalkanoate producer and its comparison with other P. putida strains.

    abstract::A novel strain of Pseudomonas putida LS46 was isolated from wastewater on the basis of its ability to synthesize medium chain-length polyhydroxyalkanoates (mcl-PHAs). P.putida LS46 was differentiated from other P.putida strains on the basis of cpn60 (UT). The complete genome of P.putida LS46 was sequenced and annotate...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-014-0037-8

    authors: Sharma PK,Fu J,Zhang X,Fristensky B,Sparling R,Levin DB

    更新日期:2014-05-22 00:00:00

  • Isolation and identification of a novel bacterium, Pseudomonas sp. ZyL-01, involved in the biodegradation of CL-20.

    abstract::Hexanitrohexaazaisowurtzitane (CL-20) is a compound with a polycyclic cage and an N-nitro group that has been shown to play an unfavorable role in environmental fate, biosafety, and physical health. The aim of this study was to isolate the microbial community and to identify a single microbial strain that can degrade ...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-020-01136-x

    authors: Liu Z,Dang K,Li C,Gao J,Wang H,Gao Y,Zhao B,Fan P,Qian A

    更新日期:2020-10-31 00:00:00

  • Diversity of pathogenic Pseudomonas isolated from citrus in Tunisia.

    abstract::The damages observed in Tunisian citrus orchards have prompted studies on the Pseudomonas spp. responsible for blast and black pit. Prospective orchards between 2015 and 2017 showed that the diseases rapidly spread geographically and to new cultivars. A screening of Pseudomonas spp. isolated from symptomatic trees rev...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-020-01134-z

    authors: Oueslati M,Mulet M,Zouaoui M,Chandeysson C,Lalucat J,Hajlaoui MR,Berge O,García-Valdés E,Sadfi-Zouaoui N

    更新日期:2020-11-01 00:00:00

  • Adaptive response of Rhodococcus opacus PWD4 to salt and phenolic stress on the level of mycolic acids.

    abstract::Mycolata form a group of Gram-positive bacteria with unique cell envelope structures that are known for their high tolerance against antibiotics and both aromatic and aliphatic hydrocarbons. An important part of the unique surface structure of the mycolata is the presence of long chain α-alkyl-β-hydroxy fatty acids, t...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-016-0241-9

    authors: de Carvalho CCCR,Fischer MA,Kirsten S,Würz B,Wick LY,Heipieper HJ

    更新日期:2016-12-01 00:00:00

  • Description of the interaction between Candida albicans and macrophages by mixed and quantitative proteome analysis without isolation.

    abstract::Candida albicans is an opportunistic pathogen that causes fatal diseases in immunocompromised hosts. Host resistance against C. albicans relies on ingestion of the pathogen by macrophages. Analysis of the escaping behavior of C. albicans from macrophages is required to understand the onset of systemic candidiasis. In ...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-015-0127-2

    authors: Kitahara N,Morisaka H,Aoki W,Takeda Y,Shibasaki S,Kuroda K,Ueda M

    更新日期:2015-12-01 00:00:00

  • Family 1 carbohydrate binding-modules enhance saccharification rates.

    abstract::Cellulose degrading enzymes usually have a two-domain structure consisting of a catalytic domain and a non-catalytic carbohydrate-binding module. Although it is well known the importance of those modules in cell wall degrading process, their function is not yet fully understood. Here, we analyze the cellulose-hydrolys...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-014-0036-9

    authors: Mello BL,Polikarpov I

    更新日期:2014-04-25 00:00:00

  • Construction of a biodynamic model for Cry protein production studies.

    abstract::Mathematical models have been used from growth kinetic simulation to gen regulatory networks prediction for B. thuringiensis culture. However, this culture is a time dependent dynamic process where cells physiology suffers several changes depending on the changes in the cell environment. Therefore, through its culture...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-014-0079-y

    authors: Navarro-Mtz AK,Pérez-Guevara F

    更新日期:2014-12-01 00:00:00

  • Production, characterization and bioinformatics analysis of L-asparaginase from a new Stenotrophomonas maltophilia EMCC2297 soil isolate.

    abstract::An exhaustive screening program was applied for scoring a promising L-asparaginase producing-isolate. The recovered isolate was identified biochemically and molecularly and its L-asparaginase productivity was optimized experimentally and by Response Surface Methodology. The produced enzyme was characterized experiment...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-020-01005-7

    authors: Abdelrazek NA,Elkhatib WF,Raafat MM,Aboulwafa MM

    更新日期:2020-04-15 00:00:00

  • Degradation of biodegradable plastic mulch films in soil environment by phylloplane fungi isolated from gramineous plants.

    abstract:: To improve the biodegradation of biodegradable plastic (BP) mulch films, 1227 fungal strains were isolated from plant surface (phylloplane) and evaluated for BP-degrading ability. Among them, B47-9 a strain isolated from the leaf surface of barley showed the strongest ability to degrade poly-(butylene succinate-co-bu...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/2191-0855-2-40

    authors: Koitabashi M,Noguchi MT,Sameshima-Yamashita Y,Hiradate S,Suzuki K,Yoshida S,Watanabe T,Shinozaki Y,Tsushima S,Kitamoto HK

    更新日期:2012-08-02 00:00:00

  • Changes in feeding habits promoted the differentiation of the composition and function of gut microbiotas between domestic dogs (Canis lupus familiaris) and gray wolves (Canis lupus).

    abstract::Wolves (Canis lupus) and their domesticated and close relatives, dogs (Canis lupus familiaris), have great differences in their diets and living environments. To the best of our knowledge, the fundamental question of how the abundance and function of the gut microbiota of domestic dogs evolved to adapt to the changes ...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-018-0652-x

    authors: Lyu T,Liu G,Zhang H,Wang L,Zhou S,Dou H,Pang B,Sha W,Zhang H

    更新日期:2018-08-02 00:00:00

  • Long-term nitrate removal through methane-dependent denitrification microorganisms in sequencing batch reactors fed with only nitrate and methane.

    abstract::Denitrifying anaerobic methane oxidation (damo) bioprocesses can remove nitrate using methane as the electron donor, which gains great concern due to the current stringent discharge standard of nitrogen in wastewater treatment plants. To obtain an engineering acceptable nitrogen removal rate (NRR) and demonstrate the ...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-018-0637-9

    authors: Li W,Lu P,Chai F,Zhang L,Han X,Zhang D

    更新日期:2018-06-30 00:00:00

  • Optimisation of enzymatic hydrolysis of cassava peel to produce fermentable sugars.

    abstract::Enzymatic hydrolysis of cassava peels was evaluated using cellulase and beta-glucanase enzymes and their mixtures at three different enzyme loadings with time. The pH of the medium used for hydrolysis was 5 and the temperature was 50 °C. The efficiency of the hydrolysis using beta-glucanase was better than cellulase a...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-015-0146-z

    authors: Bayitse R,Hou X,Bjerre AB,Saalia FK

    更新日期:2015-12-01 00:00:00

  • Bifidogenic and butyrogenic effects of young barely leaf extract in an in vitro human colonic microbiota model.

    abstract::Young barley leaf extract (YBL) contains beneficial substances such as fructans, minerals, and vitamins. The effects of YBL administration on the human colonic microbiota and its production of metabolites were evaluated using an in vitro model culture system. Fermentations were started by inoculating fecal samples fro...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-019-0911-5

    authors: Sasaki D,Sasaki K,Kadowaki Y,Aotsuka Y,Kondo A

    更新日期:2019-11-13 00:00:00

  • Effects of Piromyces sp. CN6 CGMCC 14449 on fermentation quality, nutrient composition and the in vitro degradation rate of whole crop maize silage.

    abstract::This study investigated the effects of the rumen fungus Piromyces sp. CN6 CGMCC 14449 as a silage additive on the fermentation quality, nutrient composition and in vitro digestibility of whole crop maize silage. Whole crop maize served as the silage material and was vacuum packed in polyethylene bags. Three ensiling t...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-019-0846-x

    authors: Wang D,Zhao C,Liu S,Zhang T,Yao J,Cao Y

    更新日期:2019-07-29 00:00:00

  • Construction of a novel Pichia pastoris strain for production of xanthophylls.

    abstract:: In this study, we used the yeast carotenogenic producer Pichia pastoris Pp-EBIL strain, which has been metabolically engineered, by heterologously expressing β-carotene-pathway enzymes to produce β-carotene, as a vessel for recombinant astaxanthin expression. For this purpose, we designed new P. pastoris recombinant-...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/2191-0855-2-24

    authors: Araya-Garay JM,Ageitos JM,Vallejo JA,Veiga-Crespo P,Sánchez-Pérez A,Villa TG

    更新日期:2012-04-25 00:00:00

  • Cloning and expression of a novel α-1,3-arabinofuranosidase from Penicillium oxalicum sp. 68.

    abstract::The discovery and creation of biocatalysts for plant biomass conversion are essential for industrial demand and scientific research of the plant cell wall. α-1,2 and α-1,3-L-arabinofuranosidases are debranching enzymes that catalyzing hydrolytic release of α-L-arabinofuranosyl residues in plant cell wall. Gene databas...

    journal_title:AMB Express

    pub_type: 杂志文章

    doi:10.1186/s13568-018-0577-4

    authors: Hu Y,Yan X,Zhang H,Liu J,Luo F,Cui Y,Wang W,Zhou Y

    更新日期:2018-04-02 00:00:00