Hydrogen bonding solvent, and

Fields, B.A., F.A. Goldbaum, W. Dall Acqua, E.L. Malchiodi, A. Cauerhff, F.P. Schwarz, X. Ysem, R.J. Poljak, and R.A. Mariuzza. 1996. Hydrogen bonding and solvent structure in an antigen-antibody interface. Crystal structures and thermodynamic characterization of three Fv mutants complexed with lysozyme. Biochemistry 35 15494-15503. 

Planet offers a 2-D representation (similar to that used in LIGPLOT [36]) of the protein-ligand interaction called a PLAID (Protein-Ligand Accessibility and Interaction Diagram, Figure 10.3). It is automatically calculated from the PDB data and shows van der Waals interactions, hydrogen bonds and solvent accessible areas. The interaction can be also viewed in 3 D or as the original PDB entry. 

Other energetic components associated widi the solvation process include non-electrostatic aspects of hydrogen bonding and solvent-structural rearrangements like the hydrophobic effect. Despite many years of study, the fundamental physics associated with both of these processes remains fairly controversial, and physically based models have not been applied with any regularity in the context of continuum solvation models. 

HYDROGEN BONDS AND SOLVENT EFFECTS IN SOIL PROCESSES A THEORETICAL VIEW... 

Abstract The importance of hydrogen bonds and solvent effects in soil and environmental chemistry... 

Hydrogen Bonds and Solvent Effects in Soil Processes... 

Besides the number of hydrogen bonds and solvents effects, other effects can strongly determine the strength of the hydrogen-boding systems (a) sec-... 

JY 14 jY shifts have been measured in compounds both with and without direct N-H bonds. (Ill, 377, 378) The measurement accuracy of ca. 1 ppm is sufficient for studies of hydrogen-bonding and solvent effects in some N-heterocycles. (378) H- " N INDOR was used (379) to measure characteristic shifts of y-pyrones and a-pyridones such... 

Table 17 Influence of Hydrogen Bonding and Solvent Upon Stereoselectivity...

Shchavlev, A.E., Pankratov, A.N., and Shalabay, A.V., DFT computational studies on rotation barriers, tautomerism, intramolecular hydrogen bond and solvent effects in 8-hydroxyquinoline, Int. J. Quantum Chem., 106, 876-886 (2006). 

R-N-H O.S. O ppm Hydrogens attached to a nitrogen have a variable chemical shift depending on the temperature, acidity, amount of hydrogen bonding, and solvent. 

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