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Physical Chemistry Chemical Physics, ISSN 1463-9076, 2017, Volume 19, Issue 26, pp. 17128 - 17142
The presence in crystallized proteins of a local anchoring between the side chain of a His residue, located in the central position of a gamma-or beta-turn,... 
CHAIN | BETA-TURNS | SPECTROSCOPY | SECONDARY STRUCTURES | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | GAMMA-GAMMA | ION-CHANNEL | CHEMISTRY, PHYSICAL | HISTIDINE TAUTOMERS | WATER-MOLECULES | HYDRATION | HYDROGEN-BONDS | Proteins | Solvents | Molecular conformation | Peptides | Chains | Mathematical models | Tautomers | Gas phases
Journal Article
The Journal of Chemical Physics, ISSN 0021-9606, 08/2017, Volume 147, Issue 6, p. 064907
We studied the behavior of long chain alkanes (LCAs) as they were transferred from gas to bulk water, through the liquid-vapor interface. These systems were... 
HYDROCARBONS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | DYNAMICS | CHEMISTRY, PHYSICAL | CHAINS | ALGORITHMS | ADSORPTION | SOLVATION | HYDRATION | PEPTIDE | SOLUBILITY | Molecular dynamics | Molecular conformation | Chains | Alkanes | Dodecane | Free energy
Journal Article
Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 07/2017, Volume 19, Issue 26, pp. 17128 - 17142
The presence in crystallized proteins of a local anchoring between the side chain of a His residue, located in the central position of a γ- or β-turn, and its... 
or physical chemistry | Chemical Sciences | Theoretical and
Journal Article
Theoretical Chemistry Accounts, ISSN 1432-881X, 05/2016, Volume 135, Issue 5, p. 1
To access, purchase, authenticate, or subscribe to the full-text of this article, please visit this link: http://dx.doi.org/10.1007/s00214-016-1887-8 The... 
Molecular dynamics | Temperature effect | Coordination number | Polarizable force field | Hydration of Zn(II) | Zinc compounds | Force and energy
Journal Article
Theoretical Chemistry Accounts, ISSN 1432-881X, 5/2016, Volume 135, Issue 5, pp. 1 - 13
The micro-hydration of $$\mathrm{Zn}^{2+}$$ Zn 2 + was studied for clusters growing from 6 to 216 water molecules to derive the zinc coordination number as a... 
Theoretical and Computational Chemistry | Chemistry | Coordination number | Polarizable force field | Physical Chemistry | Molecular dynamics | Temperature effect | Atomic/Molecular Structure and Spectra | Inorganic Chemistry | Hydration of Zn(II) | Organic Chemistry
Journal Article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, 10/2000, Volume 122, Issue 42, pp. 10440 - 10449
Experimental and theoretical binding energies, entropies, and free energies are reported for M(L)(n)(2+) complexes, where M = Zn, Mg, Ca and L = acetone... 
TRANSPORT | DIMER | CALCIUM | ENTROPIES | GRAMICIDIN CHANNEL | DENSITY-FUNCTIONAL THEORY | EXCHANGE | CHEMISTRY, MULTIDISCIPLINARY | HYDRATION ENERGIES | PROTONATION
Journal Article
Mass Spectrometry Reviews, ISSN 0277-7037, 07/2007, Volume 26, Issue 4, pp. 517 - 541
Journal Article
Journal of Mass Spectrometry, ISSN 1076-5174, 03/2016, Volume 51, Issue 3, pp. 236 - 244
Journal Article
Journal of The American Society for Mass Spectrometry, ISSN 1044-0305, 9/2019, Volume 30, Issue 9, pp. 1768 - 1778
Journal Article