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 Expressjournal_title
AMB Expressauthors
Guan B,Zhang C,Ning Jdoi
10.1186/s13568-017-0476-0subject
Has Abstractpub_date
2017-09-13 00:00:00pages
174issue
1issn
2191-0855pii
10.1186/s13568-017-0476-0journal_volume
7pub_type
杂志文章相关文献
AMB Express文献大全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
更新日期:2020-07-06 00:00:00
abstract::Clean coal technologies (e.g. coal biosolubilization) are of essential value, especially in Europe, where coal is the national wealth and other energy sources like crude oil are not available. Fusarium oxysporum LOCK 1134, the strain isolated from brown coal, efficiently biosolubilizes lignite. The obtained liquefied ...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-018-0669-1
更新日期:2018-08-22 00:00:00
abstract::The effect of varying concentrations of the nitrogen source on the growth kinetics, lipid accumulation, lipid and DHA productivity, and fatty acid composition of C. cohnii was elucidated. Growth of C. cohnii was in three distinct growth stages: cell growth, lipid accumulation and a final lipid turnover stage. Most of ...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-017-0384-3
更新日期:2017-12-01 00:00:00
abstract::Hydrogen gas represents a promising alternative energy source to dwindling fossil fuel reserves, as it carries the highest energy per unit mass and its combustion results in the release of water vapour as only byproduct. The facultatively anaerobic thermophile Parageobacillus thermoglucosidasius is able to produce hyd...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-019-0931-1
更新日期:2019-12-23 00:00:00
abstract::Helical alignment of the α-helical linker of the LOV (light-oxygen-voltage) domain of YtvA from Bacillus subtilis with the α-helical linker of the histidine-protein kinase domain of the Sln1 kinase of the phospho-relay system for osmoregulation of Saccharomyces cerevisiae has been used to construct a light-modulatable...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-018-0582-7
更新日期:2018-04-02 00:00:00
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
更新日期:2018-11-22 00:00:00
abstract::This study researched the winemaking performance of new biotechnology involving the cooperation of Lachancea and Schizosaccharomyces genera in the production of wine. In all fermentations where Lachancea thermotolerans was involved, higher lactic acid concentrations appeared, while all fermentations where Schizosaccha...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-019-0738-0
更新日期:2019-02-02 00:00:00
abstract::Geniposide is an iridoid glycoside, which is abundant in Gardeniae Fructus. Despite the various pharmaceutical effects of geniposide on a human body, its hydrolysis into a smaller molecule, genipin, by β-glucosidase produced by bacteria in the intestines is particularly important to improve geniposide uptake into the ...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-017-0360-y
更新日期:2017-12-01 00:00:00
abstract::The current study prospects the antimicrobial potential of an endophytic fungus Chaetomium globosum which showed a wide spectrum antimicrobial activity against the tested pathogenic microorganisms. This is apparently the first report where Chaetomium globosum as an endophyte from Moringa oleifera showed antimicrobial ...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-020-01143-y
更新日期:2020-11-11 00:00:00
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
更新日期:2018-07-03 00:00:00
abstract::Ethanol extract of cell mass of Serratia marcescens strain N4-5, when applied as a treatment to cucumber seed, has been shown to provide control of the oomycete soil-borne plant pathogen Pythium ultimum equivalent to that provided by a seed-treatment chemical pesticide in some soils. Two dominant compounds in this ext...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-020-01169-2
更新日期:2021-01-06 00:00:00
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
更新日期:2016-12-01 00:00:00
abstract::Calebin-A is a curcuminoid compound reported to be present in Curcuma longa rhizome. The current study was aimed to isolate and characterize calebin-A from Curcuma caesia rhizome and its production through biotransformation approach using endophytic fungus. C. caesia rhizomes of different ages were subjected to analys...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-019-0802-9
更新日期:2019-05-29 00:00:00
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
更新日期:2012-08-02 00:00:00
abstract::The strain Y1, with a notably high production of neutral protease, was isolated from naturally fermented broad beans and subsequently identified as Aspergillus oryzae, through the analysis of its morphology characteristics and 18S rDNA sequence. Naturally fermented broad beans are the main raw material in Sichuan broa...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-018-0611-6
更新日期:2018-06-12 00:00:00
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
更新日期:2014-12-01 00:00:00
abstract::Aspergillus aculeatus β-glucosidase 1 (AaBGL1), which promotes cellulose hydrolysis by Trichoderma cellulase system, was characterized and compared some properties to a commercially supplied orthologue in A. niger (AnBGL) to elucidate advantages of recombinant AaBGL1 (rAaBGL1) for synergistic effect on Trichoderma enz...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-014-0090-3
更新日期:2015-01-24 00:00:00
abstract::A genetic transformation system was developed for the selective white rot basidiomycete Ceriporiopsis subvermispora using a modified protocol with polyethylene glycol and CaCl2 treatment of the protoplasts and plasmids harboring recombinant hygromycin phosphotransferase (hph) driven by a homologous promoter. During re...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-019-0818-1
更新日期:2019-06-24 00:00:00
abstract::The major platform for high level recombinant protein production is based on genetically modified microorganisms like Escherichia coli (E. coli) due to its short dividing time, ability to use inexpensive substrates and additionally, its genetics is comparatively simple, well characterized and can be manipulated easily...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-015-0155-y
更新日期:2015-12-01 00:00:00
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
更新日期:2021-01-06 00:00:00
abstract::The discovery of aerobic and anammox bacteria capable of generating methane in bio-filters in freshwater aquaculture systems is generating interest in studies to understand the activity, diversity, distribution and roles of these environmental bacteria. In this study, we used microbial enrichment of bio-filters to ass...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-018-0668-2
更新日期:2018-08-28 00:00:00
abstract::During the last few years, the global transcription machinery engineering (gTME) technique has gained more attention as an effective approach for the construction of novel mutants. Genetic strategies (molecular biology methods) were utilized to get mutational for both genes (SPT15 and TAF23) basically existed in the S...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-017-0400-7
更新日期:2017-12-01 00:00:00
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
更新日期:2015-02-20 00:00:00
abstract::Pseudomonas putida KT2440 is a model bacteria used commonly for medium-chain-length polyhydroxyalkanoates (mcl-PHAs) production using various substrates. However, despite many studies conducted on P. putida KT2440 strain, the molecular mechanisms of leading to mcl-PHAs synthesis in reaction to environmental stimuli ar...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-017-0396-z
更新日期:2017-12-01 00:00:00
abstract::Lactobacillus panis strain PM1 is an obligatory heterofermentative and aerotolerant microorganism that also produces 1,3-propanediol from glycerol. This study investigated the metabolic responses of L. panis PM1 to oxidative stress under aerobic conditions. Growth under aerobic culture triggered an early entrance of L...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/2191-0855-3-10
更新日期:2013-01-31 00:00:00
abstract::Bacterial contamination is one of the major challenges faced by yeast fermentation industries as the contaminating microorganisms produce lactic acid and acetic acid, which reduces the viability of yeast, and hence fermentation yields. The primary bacterial contaminants of yeast fermentations are lactic acid bacteria ...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-018-0654-8
更新日期:2018-08-06 00:00:00
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
更新日期:2015-12-01 00:00:00
abstract::Ginsenoside compound K has been used as a key nutritional and cosmetic component because of its anti-fatigue and skin anti-aging effects. β-Glycosidase from Sulfolobus solfataricus (SS-BGL) is known as the most efficient enzyme for compound K production. The hydrolytic pathway from ginsenoside Rb1 to compound K via Rd...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-017-0487-x
更新日期:2017-10-04 00:00:00
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
更新日期:2018-08-02 00:00:00
abstract::Water-borne pathogen contamination in water resources and related diseases are a major water quality concern throughout the world. Increasing interest in controlling water-borne pathogens in water resources evidenced by a large number of recent publications clearly attests to the need for studies that synthesize knowl...
journal_title:AMB Express
pub_type: 杂志文章
doi:10.1186/s13568-014-0051-x
更新日期:2014-06-28 00:00:00