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ACCOUNTS OF CHEMICAL RESEARCH, ISSN 0001-4842, 08/2017, Volume 50, Issue 8, pp. 1838 - 1846
The carbonyl group holds a prominent position in chemistry and biology not only because it allows diverse transformations but also because it supports key... 
PRO AMIDE BONDS | SIDE-CHAINS | PI-ASTERISK INTERACTION | CRYSTAL-STRUCTURE | COLLAGEN TRIPLE-HELIX | CARBONYL-CARBONYL INTERACTIONS | PEPTIDE-BOND ISOSTERES | CONFORMATIONAL STABILITY | CHEMISTRY, MULTIDISCIPLINARY | ALPHA-HELICES | HYDROGEN-BONDS
Journal Article
CHEMPHYSCHEM, ISSN 1439-4235, 08/2015, Volume 16, Issue 12, pp. 2496 - 2517
Journal Article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, 12/2013, Volume 135, Issue 49, pp. 18682 - 18688
Protein structures are stabilized by multiple weak interactions, including the hydrophobic effect, hydrogen bonds, electrostatic effects, and van der Waals... 
ASPARAGINE | CONTACTS | MOTIFS | COLLAGEN | COMPUTATIONAL DESIGN | CARBONYL-CARBONYL INTERACTIONS | CONFORMATIONAL STABILITY | CHEMISTRY, MULTIDISCIPLINARY | Research | Chemical properties | Hydrogen bonding | Interactomes
Journal Article
CRYSTENGCOMM, ISSN 1466-8033, 09/2019, Volume 21, Issue 36, pp. 5410 - 5417
A thorough evaluation of the CSD and DFT computations were conducted to assess if intramolecular pi-hole interactions can stabilize a conformer of nitro... 
NISOLDIPINE | HYDROGEN-BOND | SYNTHETIC LECTINS | CARBOHYDRATE-RECOGNITION | CHEMISTRY | CARBONYL-CARBONYL INTERACTIONS | BASIS-SETS | CRYSTALLOGRAPHY | CONFORMATION | RECEPTORS | ENERGIES | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
Journal Article
Crystal Growth & Design, ISSN 1528-7483, 11/2017, Volume 17, Issue 11, pp. 5858 - 5866
Here, aiming to adopt the phenyl–perfluorophenyl interaction to regulate molecular alignment and arrangement for crystal engineering, we examined and compared... 
COMPLEX | BENZENE | MATERIALS SCIENCE, MULTIDISCIPLINARY | CARBONYL-CARBONYL INTERACTIONS | AROMATIC INTERACTIONS | CRYSTALLOGRAPHY | STACKING INTERACTIONS | CHEMISTRY, MULTIDISCIPLINARY | MOLECULES | ORGANIC-SOLVENTS | CENTER-DOT-PI | UREA | HEXAFLUOROBENZENE
Journal Article
The Journal of Physical Chemistry B, ISSN 1520-6106, 04/2018, Volume 122, Issue 13, pp. 3528 - 3539
We calculate the solubility limit of pentapeptides in water by simulating the phase separation in an oversaturated aqueous solution. The solubility limit order... 
INTRINSICALLY DISORDERED PROTEINS | MOLECULAR-DYNAMICS | AMINO-ACIDS | CHEMISTRY, PHYSICAL | CARBONYL-CARBONYL INTERACTIONS | SECONDARY STRUCTURE | CONFORMATIONAL STABILITY | PREFERENTIAL INTERACTION COEFFICIENTS | SOLVATION FREE-ENERGY | TRANSFER MODEL | HYDROGEN-BONDS | Quantum Theory | Hydrogen Bonding | Peptides - chemistry | Solubility
Journal Article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, 05/2010, Volume 132, Issue 19, pp. 6651 - 6651
In many common protein secondary structures, such as alpha-, 3(10), and polyproline II helices, an n -> pi(star) interaction places the adjacent backbone amide... 
MAIN-CHAIN ATOMS | PEPTIDE ISOSTERES | ANALOGS | COLLAGEN TRIPLE-HELIX | REPLACEMENTS | CARBONYL-CARBONYL INTERACTIONS | INHIBITORS | BOND | BACKBONE | CHEMISTRY, MULTIDISCIPLINARY | CONFORMATIONS | Models, Molecular | Thermodynamics | Protein Stability | Proteins - chemistry | Protein Structure, Secondary
Journal Article
Crystal Growth & Design, ISSN 1528-7483, 03/2004, Volume 4, Issue 2, pp. 279 - 290
Journal Article
Journal of Molecular Structure, ISSN 0022-2860, 2010, Volume 984, Issue 1, pp. 75 - 82
Molecular and crystal structures of monobenzoyl tartaric acid ( 1) and its anhydride ( 2) were determined and analyzed. The molecule of 1 adopts the trans(... 
Carbonyl–carbonyl interactions | Monobenzoyl tartaric acid | Monobenzoyl anhydride | Graph set | Hydrogen bond | Hirshfeld surface | Carbonyl-carbonyl interactions | Anhydrides | Approximation | Molecular structure | Hydrogen bonds | Tartaric acid | Crystal structure | Carbonyls | Symmetry
Journal Article
CrystEngComm, ISSN 1466-8033, 2006, Volume 8, Issue 7, pp. 563 - 570
Carbonyl. carbonyl interactions involving Tr-C=O moieties (Tr = first-row transition element) have been studied using crystal structure data retrieved from the... 
MAIN-CHAIN ATOMS | STABILIZE | CAMBRIDGE STRUCTURAL DATABASE | APPROXIMATION | CHEMISTRY | CARBONYL-CARBONYL INTERACTIONS | CRYSTAL-STRUCTURES | CRYSTALLOGRAPHY | ENERGIES | CHEMISTRY, MULTIDISCIPLINARY | INTERMOLECULAR INTERACTIONS | CONFORMATIONS | Physics | Chemical Physics
Journal Article
Nong Ye Huan Jing Ke Xue Xue Bao = Journal of Agro-Environment Science, ISSN 1672-2043, 01/2019, Issue 7, p. 1482
The electric double layer at the soil solution-plant root membrane interface plays an important role in adsorption and uptake of metal ions.Molecular level... 
Binding | Cadmium | Carbonyl compounds | Statistical analysis | Calcium | Computer simulation | Surface chemistry | Molecular dynamics | Lipids | Heavy metals | Lipid bilayers | Electric double layer | Soil layers | Divalent cations | Simulation | Adsorption | Plant roots | Cations | Magnesium | Soil solution | Copper | Calcium ions | Carbonyls | Metal ions
Journal Article
Journal of Molecular Structure, ISSN 0022-2860, 06/2012, Volume 1017, pp. 98 - 105
► Relation between conformation of acyl groups and weak intramolecular interactions. ► Hirshfeld surfaces analysis of intermolecular C=O···C=O, C–H···O,... 
Carbonyl–carbonyl interactions | Rod symmetry groups | Hexagonal packing of rods | Acyltartaric anhydride | Hydrogen bond | Hirshfeld surface | Carbonyl-carbonyl interactions
Journal Article
Tetrahedron Letters, ISSN 0040-4039, 07/2014, Volume 55, Issue 29, pp. 3916 - 3919
Several novel functionalised thiophenes have been synthesised via an unusual acid catalysed reaction of S-acetyl fimbrolides. The crystal structure analysis of... 
Fimbrolides | Carbonyl–carbonyl interaction | Thiophene | Hydrogen bonding | Acid catalysed | Carbonyl-carbonyl interaction | HALOGENATED FURANONES | CHEMISTRY, ORGANIC | Synthesis (chemistry) | Thiophenes | Crystals | Tetrahedrons | Crystal structure | Carbonyls
Journal Article
CRYSTENGCOMM, ISSN 1466-8033, 2014, Volume 16, Issue 28, pp. 6398 - 6407
Dimethyl sulphoxide (DMSO) molecules in their all-organic solvates were shown to interact with arene rings of organic molecules via DMSO-O(lone pair)center dot... 
ACID | PI INTERACTIONS | INCLUSION-COMPOUNDS | AROMATIC INTERACTIONS | METAL-CARBONYL | CRYSTALLOGRAPHY | LONE-PAIR | BOND | SYNTHON | CHEMISTRY, MULTIDISCIPLINARY | CARBONYL-CARBONYL | DATABASE ANALYSIS
Journal Article
CrystEngComm, ISSN 1466-8033, 11/2010, Volume 12, Issue 11, pp. 3676 - 3683
Herein we report the crystal structures of tubular self-assemblies of flexible macrooligolides. The assembly is driven by the propensity of the macrocycles to... 
DIPEPTIDES | TRANSPORT | PEPTIDES | STABILITY | ORGANIC NANOTUBES | CARBONYL-CARBONYL INTERACTIONS | CRYSTALLOGRAPHY | CHEMISTRY, MULTIDISCIPLINARY
Journal Article
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