Hydrogen-Bond Analysis: Statistical and Computational versus Experimental Position Refinement

2014 ◽  
Vol 14 (7) ◽  
pp. 3480-3484 ◽  
Author(s):  
Matteo Lusi ◽  
Dawie de Villiers ◽  
Catharine Esterhuysen
Keyword(s):  
Hydrogen Bond ◽  
Hydrogen Bond Analysis

scholarly journals Hydrogen bond analysis of confined water in mesoporous silica using the reactive force field

2019 ◽  
Vol 45 (17) ◽  
pp. 1437-1446 ◽  
Author(s):  
Tomoko Mizuguchi ◽  
Katsumi Hagita ◽  
Susumu Fujiwara ◽  
Takeshi Yamada
Keyword(s):  
Hydrogen Bond ◽  
Mesoporous Silica ◽  
Force Field ◽  
Confined Water ◽  
Reactive Force ◽  
Reactive Force Field ◽  
Hydrogen Bond Analysis

Water hydrogen bond analysis on hydrophilic and hydrophobic biomolecule sites

2008 ◽  
Vol 10 (32) ◽  
pp. 4968 ◽  
Author(s):  
Daniela Russo ◽  
Jacques Ollivier ◽  
José Teixeira
Keyword(s):  
Hydrogen Bond ◽  
Water Hydrogen ◽  
Hydrogen Bond Analysis

Hydrogen bond analysis by MD simulation of copper plastocyanin at different hydration levels

1995 ◽  
Vol 201 (2-3) ◽  
pp. 463-472 ◽  
Author(s):  
A.R. Bizzarri ◽  
C.X. Wang ◽  
W.Z. Chen ◽  
S. Cannistraro
Keyword(s):  
Hydrogen Bond ◽  
Md Simulation ◽  
Hydrogen Bond Analysis

Hydrogen bond analysis of Type 1 antifreeze protein in water and the ice/water interface

PhysChemComm ◽  
2001 ◽  
Vol 4 (7) ◽  
pp. 32-36 ◽  
Author(s):  
Pranav Dalal ◽  
Jared Knickelbein ◽  
A. D. J. Haymet ◽  
Frank D. Sönnichsen ◽  
Jeffry D. Madura
Keyword(s):  
Hydrogen Bond ◽  
Antifreeze Protein ◽  
Water Interface ◽  
Ice Water ◽  
Hydrogen Bond Analysis

scholarly journals Crystal structures and hydrogen bond analysis of five amino acid conjugates of terephthalic and benzene-1,2,3-tricarboxylic acids

CrystEngComm ◽  
2014 ◽  
Vol 16 (35) ◽  
pp. 8243-8251 ◽  
Author(s):  
Anirban Karmakar ◽  
Clive L. Oliver ◽  
Ana E. Platero-Prats ◽  
Elina Laurila ◽  
Lars Öhrström
Keyword(s):  
Hydrogen Bond ◽  
Amino Acid ◽  
Crystal Structures ◽  
Hirshfeld Surface ◽  
Water Molecules ◽  
Narrow Channels ◽  
Amino Acid Conjugates ◽  
Graph Set ◽  
Hydrogen Bond Analysis ◽  
Hydrogen Bonded

This amino acid derived (red&blue) π-stacked (green) hydrogen bonded (striped) dimer forms a pcu-net with water molecules in the narrow channels. Four related molecules are also presented and all were subjected to graph set and Hirshfeld surface analyses.

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