Keywords: پیش بینی ساختار; Coiled coils; Structure prediction; Machine learning; Hydrophobic core; Sequence design;
مقالات ISI پیش بینی ساختار (ترجمه نشده)
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Keywords: پیش بینی ساختار; Matrix metalloproteinases; Zinc-binding motif; Structure prediction; Ramachandran plot; Stromelysin; Superfamily;
Keywords: پیش بینی ساختار; Zirconium hydrides; Structure prediction; First principles calculations; Quasi harmonic approach;
Keywords: پیش بینی ساختار; ZnO porous; Structure prediction; Density functional tight-binding;
Accelerating the detection of unfeasible hypothetical zeolites via symmetric local interatomic distance criteria
Keywords: پیش بینی ساختار; Zeolite; Crystal structure; Hypothetical structure; Structure prediction; Structure evaluation; Local interatomic distance;
Keywords: پیش بینی ساختار; CALYPSO; Structure prediction; XRD;
Keywords: پیش بینی ساختار; Genetic algorithm; Structure prediction; 2D material;
Keywords: پیش بینی ساختار; Metal-Organic Framework; Breathing; Structure solution; Structure prediction; Energy minimization; Monte Carlo; Density Functional Theory;
Keywords: پیش بینی ساختار; ATP; adenosine triphosphate; HPLC; high performance liquid chromatography; Bioluminescence imaging; Protein folding; Protein engineering; Protein domain; Disulfide bonds; Bioinformatics; Structure prediction;
Keywords: پیش بینی ساختار; Polyketides; Lipopeptides; Non-ribosomal protein synthetase; Genome mining; Structure prediction; Paenibacillus
Keywords: پیش بینی ساختار; Folding landscape; Natural selection; Structure prediction;
Keywords: پیش بینی ساختار; Structure prediction; Crystal structure; Symmetry
Keywords: پیش بینی ساختار; Implicit water models; Structure prediction; Cyclic peptides;
Structures and properties of binary MgBi compounds under pressure
Keywords: پیش بینی ساختار; MgBi compounds; High pressure; Structure prediction; Superconductivity;
Structure and peculiarities of bonding in the Al-rich A-Mn-Al alloys (where A=Y, Gd, Th and U)
Keywords: پیش بینی ساختار; Aluminide; Structure prediction; Phase stability; DFT; Intermetallics;
Kinetics and stereochemistry of LinB-catalyzed δ-HBCD transformation: Comparison of in vitro and in silico results
Keywords: پیش بینی ساختار; HBCD biotransformation; HCH-Converting bacterial enzyme LinB; Sphingomonadacea; Michaelis-menten kinetics; Molecular docking; Structure prediction;
An integrative in silico approach to the structure of Omp33-36 in Acinetobacter baumannii
Keywords: پیش بینی ساختار; Omp34; Bioinformatic; A. baumannii; Structure prediction; Topology; Secondary structure;
Structures and transitions in bcc tungsten grain boundaries and their role in the absorption of point defects
Keywords: پیش بینی ساختار; Grain boundary; Atomistic simulations; Phase transitions; Structure prediction;
High-pressure induced phase transition of FeS2: Electronic, mechanical and thermoelectric properties
Keywords: پیش بینی ساختار; High pressure; First principle; Structure prediction; Thermoelectric properties;
Analysis of plant UDP-arabinopyranose mutase (UAM): Role of divalent metals and structure prediction
Keywords: پیش بینی ساختار; Plant mutase; Reversibly glycosylated polypeptides; UDP-arabinopyranose mutase; L-arabinofuranose; Structure prediction; Enzyme kinetics; Metalloproteins;
In silico design of an immunogen against Acinetobacter baumannii based on a novel model for native structure of Outer membrane protein A
Keywords: پیش بینی ساختار; Structural vaccinology; B-cell epitopes; Vaccine design; P. aeruginosa; Structure prediction; OmpA;
Post-translational regulation by structural changes of 4-dihydromethyltrisporate dehydrogenase, a key enzyme in sexual and parasitic communication mediated by the trisporic acid pheromone system, of the fungal fusion parasite Parasitella parasitica
Keywords: پیش بینی ساختار; Bifunctional pheromone system; Protein-protein docking; Sexual development; Structure prediction; Trisporic acid;
Novel structures of oxygen adsorbed on a Zr(0001) surface predicted from first principles
Keywords: پیش بینی ساختار; First principle; O-adsorbed Zr surface; Structure prediction;
RandSpg: An open-source program for generating atomistic crystal structures with specific spacegroups
Keywords: پیش بینی ساختار; Crystal structure; Structure prediction; Computational crystallography; Symmetry; Space group; Wyckoff position; Wyckoff site; Inorganic materials;
Sequence identification, structure prediction and validation of tannase from Aspergillusniger N5-5
Keywords: پیش بینی ساختار; Aspergillusniger N5-5; Sequence identification; Structure prediction; Surface charge density; Tannase; Zeta potential
Ab-initio electronic structure calculations and properties of [SixSn1 − x]3N4 ternary nitrides
Keywords: پیش بینی ساختار; Structure prediction; Tin(IV) nitride; [SixSn(1 − x)]3N4; Band structure; Density functional theory
Prediction of complex super-secondary structure βαβ motifs based on combined features
Keywords: پیش بینی ساختار; Structure prediction; Complex super-secondary structure; Combined features; Support Vector Machine
Theoretical investigations of the ternary compound LaUN3
Keywords: پیش بینی ساختار; USPEX; VASP; DFT; Perovskite; Structure prediction; LaUN3
Production of a truncated recombinant HA1 for influenza A H9 subtype screening
Keywords: پیش بینی ساختار; HA1 unit; H9 subtype; Recombinant protein; Prokaryotic system; Antigenicity; Structure prediction;
CALYPSO structure prediction method and its wide application
Keywords: پیش بینی ساختار; Structure prediction; Swarm-intelligence algorithm; First principles;
Molecular characterization of alkaline protease of Bacillus amyloliquefaciens SP1 involved in biocontrol of Fusarium oxysporum
Keywords: پیش بینی ساختار; Cloning; Structure Prediction; Protease; Bacillus amyloliquefaciens SP1; Biocontrol; Fusarium oxysporum;
The RNA structurome: transcriptome-wide structure probing with next-generation sequencing
Keywords: پیش بینی ساختار; next-generation sequencing (NGS); RNA structure; RNA structurome; structure prediction; structure probing; transcriptome
Prediction of the influences of missense mutations on cholesteryl ester transfer protein structure
Keywords: پیش بینی ساختار; Missense mutation; Cholesteryl ester transfer protein; Reverse cholesterol transport; Hyperalphalipoproteinemia; Structure prediction; Cholesterol recognition amino acid consensus; Cholesterol consensus motif;
Sequence analysis and structure prediction of enoyl-CoA hydratase from Avicennia marina: Implication of various amino acid residues on substrate-enzyme interactions
Keywords: پیش بینی ساختار; ECH; enoyl-CoA hydratase; AMECH; Avicennia marina enoyl-CoA hydratase; DAC-CoA; dimethyl amino cinnamoyl-CoA; SPDV; swiss PDB viewer; Homology modeling; Structure prediction; Substrate interactions; Salt stress;
A METHOD TO PREDICT EDGE STRANDS IN BETA-SHEETS FROM PROTEIN SEQUENCES
Keywords: پیش بینی ساختار; Protein structure; structure prediction; topology; beta-strands; central strand; loop; turn
Probing the protein space for extending the detection of weak homology folds
Keywords: پیش بینی ساختار; Protein motif; Structure prediction; Protein fold; Remote homology; Structural bioinformatics
Correlation between sequence, structure and function for trisporoid processing proteins in the model zygomycete Mucor mucedo
Keywords: پیش بینی ساختار; Protein–ligand docking; Retinoid; Sexual development; Structure prediction; Trisporic acid
Estimating intrinsic structural preferences of de novo emerging random-sequence proteins: Is aggregation the main bottleneck?
Keywords: پیش بینی ساختار; Protein evolution; De novo protein; Aggregation propensity; Random sequence; Structure prediction;
CALYPSO: A method for crystal structure prediction
Keywords: پیش بینی ساختار; Structure prediction; Particle swarm optimization algorithm; Crystal structure
Charged single alpha-helices in proteomes revealed by a consensus prediction approach
Keywords: پیش بینی ساختار; Charged single alpha-helix; Structure prediction; Protein evolution;
Modeling of the major gas vesicle protein, GvpA: From protein sequence to vesicle wall structure
Keywords: پیش بینی ساختار; Gas vesicles; GvpA; Halobacteria; Atomic force microscopy; Structure prediction
Identification of epitopes in Indian human papilloma virus 16 E6: A bioinformatics approach
Keywords: پیش بینی ساختار; Human papilloma virus 16; Protein E6; Cervical cancer; Computational analysis; Structure prediction; B cell epitopes;
Structural and functional studies of a 50 kDa antigenic protein from Salmonella enterica serovar Typhi
Keywords: پیش بینی ساختار; Salmonella enterica serovar Typhi; 50 kDa antigen; Structure prediction; Molecular docking; Point mutation
Prediction of disorder with new computational tool: BVDEA
Keywords: پیش بینی ساختار; Disordered proteins; Structure prediction; Neural networks; Computational learning; Bioinformatics
The prediction and characterization of YshA, an unknown outer-membrane protein from Salmonella typhimurium
Keywords: پیش بینی ساختار; Salmonella; Beta barrel; Outer-membrane protein; Structure prediction;
XtalOpt: An open-source evolutionary algorithm for crystal structure prediction
Keywords: پیش بینی ساختار; Structure prediction; Evolutionary algorithm; Genetic algorithm; Crystal structures; Titanium dioxide
A software tool to accelerate design of protein constructs for recombinant expression
Keywords: پیش بینی ساختار; Sequence analysis; Structure prediction; Construct design; Protein expression; Protein crystallization
Folded-unfolded cross-predictions and protein evolution: The case study of coiled-coils
Keywords: پیش بینی ساختار; Coiled-coil; Intrinsically disordered protein; Structure prediction; Protein evolution
Crystal structure and elastic properties of ZrB compared with ZrB2: A first-principles study
Keywords: پیش بینی ساختار; First-principles molecular dynamics; Structure prediction; Elastic properties; ZrB; ZrB2;
Predicted 3D structures for adenosine receptors bound to ligands: Comparison to the crystal structure
Keywords: پیش بینی ساختار; GPCRs; Adenosine; Structure prediction; Membrane protein structure; Ligand binding; Docking; Modeling; Receptor;