Identification of the key interactions in structural transition pathway of FtsZ from Staphylococcus aureus Fulltext Access 45 Pages 2017
Arsenic-Induced Activation of the Homeodomain-Interacting Protein Kinase 2 (HIPK2) to cAMP-Response Element Binding Protein (CREB) Axis Fulltext Access 45 Pages 2017
Spectroscopic investigations of 2,5-Difluoronitrobenzene using Hartree-Fock (HF) and density functional theory (DFT) calculations Fulltext Access 45 Pages 2017
Interplay between SIRT1 and hepatitis B virus X protein in the activation of viral transcription Fulltext Access 45 Pages 2017
DFT calculations on molecular structure, spectral analysis, multiple interactions, reactivity, NLO property and molecular docking study of flavanol-2,4-dinitrophenylhydrazone Fulltext Access 45 Pages 2017
Halide/pseudohalide complexes of cadmium(II) with benzimidazole: Synthesis, crystal structures and fluorescence properties Fulltext Access 46 Pages 2017
Synthesis, crystal structure, spectroscopic characterization and theoretical calculations of (Z)-N-(naphthalen-2-yl)-1-(5-nitrothiophen-2-yl)methanimine Fulltext Access 46 Pages 2017
Binding selectivity of vitamin K3 based chemosensors towards nickel(II) and copper(II) metal ions Fulltext Access 46 Pages 2017
Synthesis, spectroscopic characterization, X-ray study and in vitro cytotoxicity of 5-hydroxycoumarin derivatives and their copper complexes Fulltext Access 46 Pages 2017
Synthesis, spectroscopic (UV-Vis, FT-IR and NMR), single crystal XRD of 3,5-diethyl -2,6-di(thiophen-2-yl)piperidin-4-on-1-ium picrate: A comprehensive experimental and computational study Fulltext Access 46 Pages 2017
A series of novel lanthanide complexes with 2-bromine-5-methoxybenzoic acid and 2,2â²-bipyridine: Syntheses, crystal structures, and luminescent properties Fulltext Access 46 Pages 2017
Molecular structure, vibrational spectroscopic analysis (IR & Raman), HOMO-LUMO and NBO analysis of anti-cancer drug sunitinib using DFT method Fulltext Access 46 Pages 2017
Structural and catalytic properties of some azo-rhodanine Ruthenium(III) complexes Fulltext Access 46 Pages 2017
Synthesis of 4â²-substituted-2,2â²;6â²,2â³-terpyridine Ru(II) complexes electrochemical, fluorescence quenching and antibacterial studies Fulltext Access 46 Pages 2017
Spectroscopic analysis of 8-hydroxyquinoline-5-sulphonic acid and investigation of its reactive properties by DFT and molecular dynamics simulations Fulltext Access 47 Pages 2017
Synthesis, characterization, Hirshfeld surfaces and DFT computation of novel benzyl N-(1,3-benzothiazol-2-yl)-N-benzylcarbamate Fulltext Access 47 Pages 2017
Synthesis and spectral studies on Cd(II) dithiocarbamate complexes and their use as precursors for CdS nanoparticles Fulltext Access 47 Pages 2017
Spectroscopic (FT-IR, FT-Raman, UV, NMR, NLO) investigation, molecular docking and molecular simulation dynamics on 1-Methyl-3-Phenylpiperazine Fulltext Access 47 Pages 2017
Spectroscopic (FT-IR, FT-Raman, UV, NMR, NLO) investigation and molecular docking study of 1-(4-Methylbenzyl) piperazine Fulltext Access 47 Pages 2017
Synthesis, crystal structure analysis, spectral (NMR, FT-IR, FT-Raman and UV-Vis) investigations, molecular docking studies, antimicrobial studies and quantum chemical calculations of a novel 4-chloro-8-methoxyquinoline-2(1H)-one: An effective antimicrobi Fulltext Access 47 Pages 2017
Physico-chemical studies of the experimental and theoretical properties of organic nonlinear optical material 4-chloro-4'methoxy benzylideneaniline Fulltext Access 47 Pages 2017
Synthesis, spectroscopic (FT-IR, FT-Raman, NMR, UV-Visible), NLO, NBO, HOMO-LUMO, Fukui function and molecular docking study of (E)-1-(5-bromo-2-hydroxybenzylidene)semicarbazide Fulltext Access 48 Pages 2017
Pyrrole multimers and pyrrole-acetylene hydrogen bonded complexes studied in N2 and para-H2 matrixes using matrix isolation infrared spectroscopy and ab initio computations Fulltext Access 48 Pages 2017
Investigation of spectroscopic, reactive, transport and docking properties of 1-(3,4-dichlorophenyl)-3-[3-(trifluoromethyl)phenyl]thiourea (ANF-6): Combined experimental and computational study Fulltext Access 48 Pages 2017
Dual function of Ixr1 in transcriptional regulation and recognition of cisplatin-DNA adducts is caused by differential binding through its two HMG-boxes Fulltext Access 48 Pages 2017
Spectral and structural analysis on 2-(4-Allyl-5-Mercapto-4H-1,2,4-Triazol-3-yl)Acetic acid: Experimental and theoretical (HF and DFT) studies Fulltext Access 48 Pages 2017
Synthesis, structural characterization, antibacterial activity, DNA binding and computational studies of bis(2-methyl-1H-imidazole κN3)silver(I)dichromate(VI) Fulltext Access 48 Pages 2017
Syntheses, characterization and antioxidant activity studies of mixed-ligand copper(II) complexes of 2,2â²-bipyridine and glycine: The X-ray crystal structure of [Cu(BPy)(Gly)]ClO4 Fulltext Access 49 Pages 2017
Eicosapentaenoic acid modulates the synergistic action of CREB1 and ID/E2A family members in the rat pup brain and mouse embryonic stem cells Fulltext Access 49 Pages 2017
Protein arginine methylation of Npl3 promotes splicing of the SUS1 intron harboring non-consensus 5â² splice site and branch site Fulltext Access 49 Pages 2017
Structure of five molecular salts assembled from noncovalent associations between organic acids, imidazole, benzimidazole, and 1-(2-(1H-benzimidazol-1-yl)ethyl)-1H-benzimidazole Fulltext Access 49 Pages 2017
Crystal and molecular structures, temperature dependence of the IR and Raman spectra and vibrational dynamics of aquo 4,6-dimethyl-5H-[1,2,3]triazolo[4,5-c]pyridine in a new zwitterionic form Fulltext Access 49 Pages 2017
Conformational, vibrational and DFT studies of a newly synthesized arylpiperazine-based drug and evaluation of its reactivity towards the human GABA receptor Fulltext Access 49 Pages 2017
Spectroscopic characterization of 1-[3-(1H-imidazol-1-yl)propyl]-3-phenylthiourea and assessment of reactive and optoelectronic properties employing DFT calculations and molecular dynamics simulations Fulltext Access 49 Pages 2017
Differentiating the pre-hydrolysis states of wild-type and A59G mutant HRas: An insight through MD simulations Fulltext Access 49 Pages 2017
Experimental and theoretical study on the structure-property relationship of novel 1-aryl-3-methylsuccinimides Fulltext Access 49 Pages 2017
Vibrational spectroscopic (FT-IR, FT-Raman) studies, Hirshfeld surfaces analysis, and quantum chemical calculations of m-acetotoluidide and m-thioacetotoluidide Fulltext Access 49 Pages 2017
New quinolone derivative: Spectroscopic characterization and reactivity study by DFT and MD approaches Fulltext Access 50 Pages 2017
Synthesis, spectroscopic studies, DFT calculations, electrochemical evaluation, BSA binding and molecular docking of an aroylhydrazone -based cis-dioxido Mo(VI) complex Fulltext Access 50 Pages 2017
BRG1 and SMARCAL1 transcriptionally co-regulate DROSHA, DGCR8 and DICER in response to doxorubicin-induced DNA damage Fulltext Access 50 Pages 2017
Molecular structure, nonlinear optical studies and spectroscopic analysis of chalcone derivative (2E)-3-[4-(methylsulfanyl) phenyl]-1-(3-bromophenyl) prop-2-en-1-one by DFT calculations Fulltext Access 50 Pages 2017
Enhancement of atom transfer in different surface chemistry of hydrogenated vs. fluorinated tribromobenzene on Ag(111) and Cu(111) Fulltext Access 50 Pages 2017
Transcriptional factors Eaf1/2 inhibit endoderm and mesoderm formation via suppressing TGF-β signaling Fulltext Access 50 Pages 2017
Hydrogen bonded R22(8) graph set in inducing charge transfer mechanism in guanidinium-3,5-dinitrobenzoate: A combined experimental, theoretical and Hirshfeld surface study Fulltext Access 50 Pages 2017
Abnormal lipid metabolism in skeletal muscle tissue of patients with muscular dystrophy: In vitro, high-resolution NMR spectroscopy based observation in early phase of the disease Fulltext Access 50 Pages 2017
Vibrational spectroscopic investigations and molecular docking studies of biologically active 2-[4-(4-phenylbutanamido)phenyl]-5-ethylsulphonyl-benzoxazole Fulltext Access 50 Pages 2017
Synthesis, characterization and antioxidant/cytotoxic activity of oxovanadium(IV) complexes of methyliminodiacetic acid and ethylenediaminetetracetic acid Fulltext Access 51 Pages 2017
Modified-BRISQUE as no reference image quality assessment for structural MR images Fulltext Access 51 Pages 2017
A brain phantom for motion-corrected PROPELLER showing image contrast and construction similar to those of in vivo MRI Fulltext Access 51 Pages 2017
Role of dispersion corrected hybrid GGA class in accurately calculating the bond dissociation energy of carbon halogen bond: A benchmark study Fulltext Access 51 Pages 2017
Spectral characterization, thermal and biological activity studies of Schiff base complexes derived from 4,4â²-Methylenedianiline, ethanol amine and benzil Fulltext Access 51 Pages 2017
Milk β-casein as a vehicle for delivery of bis(indolyl)methane: Spectroscopy and molecular docking studies Fulltext Access 52 Pages 2017
Synthesis, spectroscopic characterization, antimicrobial and antitumor studies of mono-, bi- and tri-nuclear metal complexes of a new Schiff base ligand derived from o-acetoacetylphenol Fulltext Access 52 Pages 2017
Spectroscopic, DFT, molecular dynamics and molecular docking study of 1-butyl-2-(4-hydroxyphenyl)-4,5-dimethyl-imidazole 3-oxide Fulltext Access 53 Pages 2017
Synthesis, structural, spectroscopic, anti-cancer and molecular docking studies on novel 2-[(Anthracene-9-ylmethylene)amino]-2-methylpropane-1,3-diol using XRD, FTIR, NMR, UV-Vis spectra and DFT Fulltext Access 53 Pages 2017
Studies on complex Ï-Ï and T-stacking features of imidazole and phenyl/p-halophenyl units in series of 5-amino-1-(phenyl/p-halophenyl)imidazole-4-carboxamides and their carbonitrile derivatives: Role of halogens in tuning of conformation Fulltext Access 53 Pages 2017
NF-Y in cancer: Impact on cell transformation of a gene essential for proliferation Fulltext Access 53 Pages 2017
Molecular structure, vibrational analysis (IR and Raman) and quantum chemical investigations of 1-aminoisoquinoline Fulltext Access 54 Pages 2017
Structural and spectroscopic (UV-Vis, IR, Raman, and NMR) characteristics of anisaldehydes that are flavoring food additives: A density functional study in comparison with experiments Fulltext Access 54 Pages 2017
The stoichiometry of the TMEM16A ion channel determined in intact plasma membranes of COS-7 cells using liquid-phase electron microscopy Fulltext Access 56 Pages 2017
Parallel screening of drug-like natural compounds using Caco-2 cell permeability QSAR model with applicability domain, lipophilic ligand efficiency index and shape property: A case study of HIV-1 reverse transcriptase inhibitors Fulltext Access 56 Pages 2017
Spectroscopic, thermal, catalytic and biological studies of Cu(II) azo dye complexes Fulltext Access 57 Pages 2017
Traveling Internal Plane-wave Synthesis (TIPS) for uniform B1 in high field MRI Fulltext Access 57 Pages 2017
Structure, proteome and genome of Sinorhizobium meliloti phage ΦM5: A virus with LUZ24-like morphology and a highly mosaic genome Fulltext Access 57 Pages 2017
Syntheses and structure characterization of ten acid-base hybrid crystals based on N-containing aromatic brønsted bases and mineral acids Fulltext Access 58 Pages 2017
Potentially useful to NLO materials: 4-Chloro-3-(trifluoromethyl)aniline, 4-bromo-3-(trifluoromethyl)aniline and 4-fluoro-3-(trifluoromethyl)aniline are combined experimental and theoretical vibrational analysis Fulltext Access 59 Pages 2017
Transverse water relaxation in whole blood and erythrocytes at 3T, 7T, 9.4T, 11.7T and 16.4T; determination of intracellular hemoglobin and extracellular albumin relaxivities Fulltext Access 60 Pages 2017
An investigation on the physicochemical properties of the nanostructured [(4-X)PMAT][N(CN)2] ion pairs as energetic and tunable aryl alkyl amino tetrazolium based ionic liquids Fulltext Access 60 Pages 2017
Synthesis, crystal structure analysis, spectral investigations, DFTÂ computations and molecular dynamics and docking study of 4-benzyl-5-oxomorpholine-3-carbamide, a potential bioactive agent Fulltext Access 61 Pages 2017
The vibrational spectroscopic studies and molecular property analysis of l-Phenylalanine using quantum chemical method Fulltext Access 62 Pages 2017
Nine supramolecular assemblies from 5,7-dimethyl-1,8-naphthyridine-2-amine and carboxylic acids by strong classical H-bonds and other noncovalent associations Fulltext Access 62 Pages 2017
Synthesis, structural characterization and evaluation of catalytic and antimicrobial properties of new mononuclear Ag(I), Mn(II), Cu(II) and Pt(IV) complexes Fulltext Access 62 Pages 2017
Spectral, molecular, in vivo cytotoxicity and immobilization of β-galactosidase on poly(o-toluidine)-titanium dioxide nanocomposite Fulltext Access 63 Pages 2017
An immunohistochemical study on the distribution of vasotocin neurons in the brain of two weakly electric fish, Gymnotus omarorum and Brachyhypopomus gauderio Fulltext Access 63 Pages 2017
Synthesis, characterization and anticancer activity of new Schiff bases bearing neocryptolepine Fulltext Access 63 Pages 2017
Spectroscopic and reactive properties of a newly synthesized quinazoline derivative: Combined experimental, DFT, molecular dynamics and docking study Fulltext Access 68 Pages 2017
Corrosion inhibition of carbon steel pipelines by some novel Schiff base compounds during acidizing treatment of oil wells studied by electrochemical and quantum chemical methods Fulltext Access 69 Pages 2017
Intersections of post-transcriptional gene regulatory mechanisms with intermediary metabolism Fulltext Access 81 Pages 2017
Identification and functional prediction of stress responsive AP2/ERF transcription factors in Brassica napus by genome-wide analysis Fulltext Access 99 Pages 2017
3DBIONOTES: A unified, enriched and interactive view of macromolecular information Fulltext Access 4 Pages 2016
ZTE imaging of tight sandstone rocks at 9.4Â T - Comparison with standard NMR analysis at 0.05Â T Fulltext Access 4 Pages 2016
Understanding the symmetric line shape in the 17O MAS spectra for hexagonal ice Fulltext Access 4 Pages 2016
MRI FindingTechnical aspects of MRI signal change quantification after gadolinium-based contrast agents' administration Fulltext Access 4 Pages 2016
Breast MRI background parenchymal enhancement (BPE) correlates with the risk of breast cancer Fulltext Access 4 Pages 2016
An experimental study on the assessment of rabbit hepatic fibrosis by using magnetic resonance T1Ï imaging Fulltext Access 4 Pages 2016
Binuclear bromide complex of Bi(III): Thermally induced changes in optical properties Fulltext Access 4 Pages 2016
Porous heterometallic Cd(II)-Ca(II)-terephthalate: Synthesis, structure, luminescent and gas adsorption properties Fulltext Access 4 Pages 2016
Density functional theory study of Mo-doped M@(BN)48 (MÂ =Â Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) clusters Fulltext Access 4 Pages 2016
Employing linear tetranuclear [Zn4(COO)4(OH)2] clusters as building subunits to construct a new Zn(II) coordination polymer with tunable luminescent properties Fulltext Access 4 Pages 2016
Crystallization NotesCrystal structure of carbonmonoxy sickle hemoglobin in R-state conformation Fulltext Access 5 Pages 2016
Optimizing the ICE decoupling element distance to improve monopole antenna arrays for 7 Tesla MRI Fulltext Access 5 Pages 2016
A rapid method for the measurement and estimation of CO2 diffusivity in liquid hydrocarbon-saturated porous media using MRI Fulltext Access 5 Pages 2016
Proton MR spectroscopy of normal breasts: Association of risk factors for breast cancer with water and lipid composition of the breast Fulltext Access 5 Pages 2016
Post-stenotic plug-like jet with a vortex ring demonstrated by 4D flow MRI Fulltext Access 5 Pages 2016