about
Understanding DNA under oxidative stress and sensitization: the role of molecular modelingModelling the experimental electron density: only the synergy of various approaches can tackle the new challengesInterlayer water regulates the bio-nano interface of a β-sheet protein stacking on graphene.Relationships between Th1 or Th2 iNKT cell activity and structures of CD1d-antigen complexes: meta-analysis of CD1d-glycolipids dynamics simulationsInvestigation of allosteric modulation mechanism of metabotropic glutamate receptor 1 by molecular dynamics simulations, free energy and weak interaction analysisThe structure of the periplasmic nickel-binding protein NikA provides insights for artificial metalloenzyme designThe active site architecture in peroxiredoxins: a case study on Mycobacterium tuberculosis AhpEA machine learning correction for DFT non-covalent interactions based on the S22, S66 and X40 benchmark databasesWhy p-OMe- and p-Cl-β-Methylphenethylamines Display Distinct Activities upon MAO-B BindingThe nature of inter- and intramolecular interactions in F2OXe(…)HX (X= F, Cl, Br, I) complexesThe Conformational Map of Volatile Anesthetics: Enflurane Revisited.Coupling quantum interpretative techniques: another look at chemical mechanisms in organic reactions.Charge density analysis for crystal engineering.Conformational analysis of 2,2-difluoroethylamine hydrochloride: double gauche effectExperimental and theoretical investigations of the self-association of oxaliplatin.Weak Intermolecular Hydrogen Bonds with Fluorine: Detection and Implications for Enzymatic/Chemical Reactions, Chemical Properties, and Ligand/Protein Fluorine NMR Screening.Revisiting H2O Nucleation around Au(+) and Hg(2+): The Peculiar "Pseudo-Soft" Character of the Gold CationVisualization of weak interactions between quantum dot and graphene in hybrid materialsBacterial diversity losses: A potential extracellular driving mechanism involving the molecular ecological function of hydrophobic polycyclic aromatic hydrocarbonsIntramolecular OH···π interactions in alkenols and alkynols.Highly selective mercury(II) cations detection in mixed-aqueous media by a ferrocene-based fluorescent receptor.Alternative Pathway for the Reaction Catalyzed by DNA Dealkylase AlkB from Ab Initio QM/MM CalculationsThe Enantioselective Dakin-West Reaction.High-yield synthesis of silver nanoclusters protected by DNA monomers and DFT prediction of their photoluminescence properties.Chemical datuments as scientific enablers.Multifunctional Benzothiadiazole-Based Small Molecules Displaying Solvatochromism and Sensing Properties toward Nitroarenes, Anions, and Cations.NCIPLOT: a program for plotting non-covalent interaction regions.Intra-residue interactions in proteins: interplay between serine or cysteine side chains and backbone conformations, revealed by laser spectroscopy of isolated model peptides.Diastereo-specific conformational properties of neutral, protonated and radical cation forms of (1R,2S)-cis- and (1R,2R)-trans-amino-indanol by gas phase spectroscopy.An anion induced multisignaling probe for Hg(2+) and its application for fish kidney and liver tissue imaging studies.Interaction and protection mechanism between Li@C(60) and nucleic acid bases (NABs): performance of PM6-DH2 on noncovalent interaction of NABs-Li@C60.Intrinsic Folding Proclivities in Cyclic β-Peptide Building Blocks: Configuration and Heteroatom Effects Analyzed by Conformer-Selective Spectroscopy and Quantum Chemistry.Influence of Fluorination on the Conformational Properties and Hydrogen-Bond Acidity of Benzyl Alcohol Derivatives.Quantitative analysis of intermolecular interactions in orthorhombic rubrene.Competition between inter- and intra-molecular hydrogen bonding: An infrared spectroscopic study of jet-cooled amino-ethanol and its dimer.Conformation of protonated glutamic acid at room and cryogenic temperatures.Interaction of Iron II Complexes with B-DNA. Insights from Molecular Modeling, Spectroscopy, and Cellular Biology.On the Performance of Local Density Approximation in Describing the Adsorption of Electron Donating/Accepting Molecules on Graphene.Interaction Mechanism of Doxorubicin and SWCNT: Protonation and Diameter Effects on the Drug Loading and Releasing.Analysis of hydrogen-bond interaction potentials from the electron density: integration of noncovalent interaction regions.
P2860
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P2860
description
2010 nî lūn-bûn
@nan
2010 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2010 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2010年の論文
@ja
2010年論文
@yue
2010年論文
@zh-hant
2010年論文
@zh-hk
2010年論文
@zh-mo
2010年論文
@zh-tw
2010年论文
@wuu
name
Revealing noncovalent interactions
@ast
Revealing noncovalent interactions
@en
type
label
Revealing noncovalent interactions
@ast
Revealing noncovalent interactions
@en
prefLabel
Revealing noncovalent interactions
@ast
Revealing noncovalent interactions
@en
P2093
P2860
P50
P356
P1476
Revealing noncovalent interactions
@en
P2093
Erin R Johnson
Paula Mori-Sánchez
Weitao Yang
P2860
P304
P356
10.1021/JA100936W
P407
P577
2010-05-01T00:00:00Z