Guiding exploration in conformational feature space with Lipschitz underestimation for ab-initio protein structure prediction Fulltext Access 15 Pages 2018
Synthesis, molecular structure, vibrational and theoretical studies of a new non-centrosymmetric organic sulphate with promising NLO properties Fulltext Access 15 Pages 2018
The mixed valence iodine chlorides [PCl4]2[ICl2][ICl4] and [BnMe3N]2[I2Cl3][ICl4] Fulltext Access 15 Pages 2018
Prospective gating control for highly efficient cardio-respiratory synchronised short and constant TR MRI in the mouse Fulltext Access 15 Pages 2018
Examination of doped zirconia-based layers deposited on metallic substrates Fulltext Access 15 Pages 2018
Raman spectroscopic study of orthorhombic l-cysteine under pressure up to 20.2â¯GPa Fulltext Access 15 Pages 2018
Supramolecular Ag(I) coordination polymer directed by argentophilic interactions: Synthesis, crystal structure, luminescent and catalytic properties Fulltext Access 15 Pages 2018
Synthesis, crystal structure, thermal analysis and dielectric properties of Rb4(SO4)(HSO4)2(H3AsO4) compound Fulltext Access 15 Pages 2018
The effect of thickness on the optical, structural and electrical properties of ZnO thin film deposited on n-type Si Fulltext Access 16 Pages 2018
Self-assembled 1D infinite inorganic [2]catenane and 2D sheet framework with calix[8]phenylazoimidazole and [4+4]metallomacrocyclic motifs based on silver and ditopic bis(imidazolyl)methane ligands Fulltext Access 16 Pages 2018
Mapping of recent brachiopod microstructure: A tool for environmental studies Fulltext Access 16 Pages 2018
Synthesis, spectroscopic characterization, biological studies and DFT calculations on some transition metal complexes of NO donor ligand Fulltext Access 16 Pages 2018
Gaussian-input Gaussian mixture model for representing density maps and atomic models Fulltext Access 16 Pages 2018
Culturing substrates influence the morphological, mechanical and biochemical features of lung adenocarcinoma cells cultured in 2D or 3D Fulltext Access 16 Pages 2018
Synthesis, crystal structure and antitumor activities of water soluble protonated salt of 20(S)-camptothecin Fulltext Access 16 Pages 2018
EPR investigation of damage centers formed in some drug powders irradiated with gamma rays Fulltext Access 16 Pages 2018
The effect of barrier width on the electronic properties of double GaAlAs/GaAs and GaInAs/GaAs quantum wells Fulltext Access 16 Pages 2018
Structural properties of zirconia - in-situ high temperature XRD characterization Fulltext Access 16 Pages 2018
Structure elucidation of a novel oligosaccharide (Medalose) from camel milk Fulltext Access 16 Pages 2018
Functionalization of Ti99.2 substrates surface by hybrid treatment investigated with spectroscopic methods Fulltext Access 16 Pages 2018
Terahertz time-domain spectroscopy of l-histidine hydrochloride monohydrate Fulltext Access 16 Pages 2018
Anisotropic dielectric phase transition triggered by pendulum-like motion coupled with proton transfer in a layered hybrid crystalline material (4-nitroanilinium+) (18-crown-6) (H2PO4â) (H3PO4)2 Fulltext Access 16 Pages 2018
7.0 tesla high resolution MRI study on intracerebral migration of magnet-labeled neural stem cells in a mouse model of Alzheimer's disease Fulltext Access 16 Pages 2018
Identification of new antibacterial targets in RNA polymerase of Mycobacterium tuberculosis by detecting positive selection sites Fulltext Access 16 Pages 2018
Statistical methods to detect novel genetic variants using publicly available GWAS summary data Fulltext Access 16 Pages 2018
A solvent-directed coordination polymer based on Co(II) and 3,5-bis(4-carboxyphenyl)pyridine: Synthesis, structure, photoluminescence, and magnetism Fulltext Access 16 Pages 2018
Synthesis and structural analysis of 1,1,2-trichloro-2-[2-chloro-2-(organylsulfanyl)ethenyl]cyclopropanes: NMR, X-ray diffraction and QTAIM approach Fulltext Access 16 Pages 2018
Theoretical and conceptual density functional theory (DFT) study on selectivity of 4-hydroxyquinazoline electrophilic aromatic nitration Fulltext Access 16 Pages 2018
The synthesis and structure of a potential immunosuppressant: N-mycophenoyl malonic acid dimethyl ester Fulltext Access 16 Pages 2018
FERMT2 links cortical actin structures, plasma membrane tension and focal adhesion function to stabilize podocyte morphology Fulltext Access 17 Pages 2018
Bis(dicyclohexylselenophosphinyl)selenide, [Cy2P(Se)]2Se: Synthesis, molecular structure and application for self-assembly of a tetrahedral Cu(I) cluster Fulltext Access 17 Pages 2018
Synthesis, structural characterization, DFT studies and in-vitro antidiabetic activity of new mixed ligand oxovanadium(IV) complex with tridentate Schiff base Fulltext Access 17 Pages 2018
Light-induced switching of 1,3-diazabicyclo-[3.1.0]hex-3-enes on gold nanoparticles Fulltext Access 17 Pages 2018
Crystal structure, magnetism, and luminescent properties of two isostructural pcu MOFs based on a triangular ligand Fulltext Access 17 Pages 2018
Structure, stability, and electronic properties of AlP nanocages evolved from the world's smallest caged fullerene C20: A computational study at DFT Fulltext Access 17 Pages 2018
3D-QSAR, molecular docking and molecular dynamics simulations of oxazepane amidoacetonitrile derivatives as novel DPPI inhibitors Fulltext Access 17 Pages 2018
Two novel zinc(II) coordination polymers constructed from in situ amidation ligands Fulltext Access 17 Pages 2018
Synthesis, characterization and single crystal structures of chiral Schiff base and its tetranuclear palladium complex with PdOPd bridging and PdPd bonds Fulltext Access 17 Pages 2018
Isolation, characterization, antioxidant activity, and protein-precipitating capacity of the hydrolyzable tannin punicalagin from pomegranate yellow peel (Punica granatum) Fulltext Access 17 Pages 2018
Building atomic models based on near atomic resolution cryoEM maps with existing tools Fulltext Access 17 Pages 2018
Hydrogen bonds determine the signal arrangement in 13C NMR spectra of nicotinate Fulltext Access 17 Pages 2018
A new 3D POMOF based on CuI/CuII-bis(triazole) complexes and BW12 Keggin polyoxoanions: Synthesis, characterization and electrochemical properties Fulltext Access 17 Pages 2018
Molecular biophysical characterization of the third FF domain of Homo sapiens Prp40 homolog A Fulltext Access 17 Pages 2018
Crystal structure and NLO properties of the novel tetranuclear copper(I) chloride Ï-complex with 3-allyl-2-(allylimino)-1,3-thiazolidin-4-one Fulltext Access 17 Pages 2018
Diffusion kurtosis imaging of a human nasopharyngeal carcinoma xenograft model: Initial experience with pathological correlation Fulltext Access 17 Pages 2018
Synthesis, anticancer activity and docking studies of N-phenyl-2-(2-((4-phenyl piperazin-1-yl) methyl)-1H-benzo [d] imidazol-1-yl) acetamides Fulltext Access 17 Pages 2018
Syntheses and photophysical properties of diaminotetraphenylporphyrins and their corresponding polyimides Fulltext Access 17 Pages 2018
Synthesis, structure and luminescent properties of a new white phosphor Ba7(BO3)3(SiO4)Cl:Dy3+ for light-emitting diodes Fulltext Access 17 Pages 2018
Towards a better understanding of the parameters determining the competition between bromine halogen bonding and hydrogen bonding: An FTIR spectroscopic study of the complexes between bromodifluoromethane and trimethylamine Fulltext Access 17 Pages 2018
Nonrigid motion compensation in compressed sensing reconstruction of cardiac cine MRI Fulltext Access 18 Pages 2018
Molecular structure, magnetic properties, cyclic voltammetry of the low-spin iron(III) Bis(4-ethylaniline) complex with the para-chloro substituted meso-tetraphenylporphyrin Fulltext Access 18 Pages 2018
Synthesis, crystal structures, spectral, thermal and antimicrobial properties of new Zn(II) 5-iodo- and 5-bromosalicylates Fulltext Access 18 Pages 2018
Molecular structure in the solid state by X-ray crystallography and SSNMR and in solution by NMR of two 1,4-diazepines Fulltext Access 18 Pages 2018
Conformational dynamics of 4-formylaminoantipyrine based on NMR and theoretical calculations Fulltext Access 18 Pages 2018
Surface plasmon resonance effect for a new structure of Ag/WO3 nanorod-shell nanocomposits and application in smart window Fulltext Access 18 Pages 2018
Structural, vibrational and surface analysis of Fe3BO6 nanoplates synthesized by combustion method Fulltext Access 18 Pages 2018
Synthesis, crystal structure, photophysical properties and theoretical studies of a novel bis(phenylisoxazolyl) benzene derivative Fulltext Access 18 Pages 2018
Investigation on the performance of PCM/TD-DFT functionals (standard pure, hybrid and long-range corrected) in simulating the absorption and emission spectra of 1-(2,5-dimethylfuran-3-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one dye in different solvents Fulltext Access 18 Pages 2018
CCFS: A cooperating coevolution technique for large scale feature selection on microarray datasets Fulltext Access 18 Pages 2018
Synthesis, spectroscopic characterization, DFT studies and antifungal activity of (E)-4-amino-5-[N'-(2-nitro-benzylidene)-hydrazino]-2,4-dihydro-[1,2,4]triazole-3-thione Fulltext Access 18 Pages 2018
Halobismuthate/diphenyliodonium hybrids stabilized by secondary hypervalent I(III)â¯X interactions: Structures, optical studies and thermochromisms Fulltext Access 18 Pages 2018
Coordination and structure of Ca(II)-acetate complexes in aqueous solution studied by a combination of Raman and XAFS spectroscopies Fulltext Access 18 Pages 2018
NGS-based likelihood ratio for identifying contributors in two- and three-person DNA mixtures Fulltext Access 19 Pages 2018
Synthesis, spectral and DFT study of 5-butyl-3,9-difluoro-5H-benzimidazo[1,2-a]benzimidazole Fulltext Access 19 Pages 2018
Synthesis, spectroscopic characterization and crystallographic behavior of ethyl 2-(4-methyl-(2-benzylidenehydrazinyl))thiazole-4-carboxylate: Experimental and theoretical (DFT) studies Fulltext Access 19 Pages 2018
A supramolecular uranyl phosphonate [BTEA]2[(UO2)2(1,3-pbpH2)2F2]: Synthesis, structure, and spectroscopic characterization Fulltext Access 19 Pages 2018
An interleaved sequence for simultaneous magnetic resonance angiography (MRA), susceptibility weighted imaging (SWI) and quantitative susceptibility mapping (QSM) Fulltext Access 19 Pages 2018
Novel 1,3-diethyl-2-thiobarbiturates of 2,2â²-bipyridine and 1,10-phenanthroline: Synthesis, crystal structure and thermal stability Fulltext Access 19 Pages 2018
Two dimensional distribution measurement of electric current generated in a polymer electrolyte fuel cell using 49 NMR surface coils Fulltext Access 19 Pages 2018
Theoretical analysis and optimization of ultrashort echo time (UTE) imaging contrast with off-resonance saturation Fulltext Access 19 Pages 2018
Pulseq-Graphical Programming Interface: Open source visual environment for prototyping pulse sequences and integrated magnetic resonance imaging algorithm development Fulltext Access 19 Pages 2018
Simultaneous multi-parametric mapping of total sodium concentration, T1, T2 and ADC at 7â¯T using a multi-contrast unbalanced SSFP Fulltext Access 19 Pages 2018
Synthesis, lipophilicity determination, DFT calculation, antifungal and DPPH radical scavenging activities of tetrahydrothiophen-3-one based thiazoles Fulltext Access 19 Pages 2018
Benzimidazole-based polyheterocycles from ninhydrin: Synthesis, X-ray crystal structure and photophysical property Fulltext Access 19 Pages 2018
Preparation, characterization and solution behavior of α-hydroxyphosphonate complexes with tin tetrachloride Fulltext Access 19 Pages 2018
The role of intermolecular interactions in the assembly of Zinc(II) and Lead(II) complexes containing carboxylate ligand and their conversion to metal oxides Fulltext Access 19 Pages 2018
Synthesis, structural characterization and density functional studies of ethyl 4-(biphenyl-4-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate A non-merohedral twinned structure Fulltext Access 19 Pages 2018
Optical and thermogravimetric analysis of Zn1-xCuxS/PVA nanocomposite ï¬lms Fulltext Access 19 Pages 2018
Lurasidone-β-cyclodextrin complexes: Physicochemical characterization and comparison of their antidepressant, antipsychotic activities against that of self microemulsifying formulation Fulltext Access 19 Pages 2018
Photoinduced electron transfer process on emission spectrum of N,Nâ²-bis(salicylidene)-1,2-phenylenediamine as a Mg2+ cation chemosensor: A first principle DFT and TDDFT study Fulltext Access 19 Pages 2018
Fluorescence sensing and photocatalytic properties of a 2D stable and biocompatible Zn(II)-based polymer Fulltext Access 20 Pages 2018
Six new complexes constructed from silver(I) and 2-(dinitromethylene)-1,3-diazacyclopentane (DNDZ): Synthesis, crystal structure and properties Fulltext Access 20 Pages 2018
Spectroscopic analysis and molecular docking of imidazole derivatives and investigation of its reactive properties by DFT and molecular dynamics simulations Fulltext Access 20 Pages 2018
Reoriention of diprotonated DABCO (1,4-Diazabicyclo[2.2.2]octane) cation and proton transfer in organic ferroelectric adduct DABCO-2(2-Chlorobenzoic acid) Fulltext Access 20 Pages 2018
Influence of Gd2O3 on thermal and spectroscopic properties of aluminosilicate glasses Fulltext Access 20 Pages 2018
Syntheses, structures and photoluminescence properties of three M(II)-coordination polymers (M Zn(II), Mn(II)) based on a pyridine N-oxide bridging ligand Fulltext Access 20 Pages 2018
A comparative meta-genomic analysis of HPV strains: A step towards the design, synthesis and characterization of noval quenazoline derivative for antiviral activity Fulltext Access 20 Pages 2018
The effect of in silico targeting Pseudomonas aeruginosa patatin-like protein D, for immunogenic administration Fulltext Access 20 Pages 2018