Karplus equation - Wikipedia, the free encyclopedia The Karplus equation, named after Martin Karplus, describes the correlation between 3J-coupling constants and dihedral torsion angles in nuclear magnetic ...
Protein pKa calculations - Wikipedia, the free encyclopedia 3.1 Using the Poisson-Boltzmann equation; 3.2 Empirical methods ... A set of empirical rules relating the protein structure to the pKa values of ionizable residues ...
5.5 Vicinal Proton-Proton Coupling 21 Jan 2014 ... The Bothner-By equation provides an empirical "Karplus" curve that .... an anti relationship between HA and HB (Stiles-House rule: Stiles J. Am.
developments in the karplus equation as they relate to the nmr ... 7 Jul 2011 ... Apparently, in 1958, while Martin Karplus was in the process of completing his ..... Haasnoot developed a simple additivity rule for prediction of anti and gauche .... In an empirical tour de force, the Karplus equation has been
The dependence of pyranose ring puckering on anomeric ... 23 May 2012 ... An Empirical Generalization of the Karplus Equation. ... 13C NMR-Studies of [1- 13C]Aldoses - Empirical Rules Correlating Pyranose Ring ...
5.5 Vicinal Proton-Proton Coupling 3JHH - Chair Biomolecular NMR The Bothner-By equation provides an empirical "Karplus" curve that does not require different J0 values for the 0-90 ..... (Stiles-House rule: Stiles J. Am. Chem.
3J Reparametrized Empirical Karplus Equations. J. Am. Chem ..... The simple multiplicity rules we've defined so far for analyzing coupling, for instance, assume first ...
SPINACH ON THE CEILING: A Theoretical Chemist's Return to Biology - Annual Review of Biophysics and AbstractI was born in Vienna and came to the United States as a refugee in October 1938. This experience played an important role in my view of the world and my approach to science: It contributed to my realization that it was safe to stop working in fiel
Force field (chemistry) - Wikipedia, the free encyclopedia In the context of molecular modeling, a force field refers to the form and parameters of mathematical functions used to describe the potential energy of a system of particles (typically molecules and atoms). Force field functions and parameter sets are de
Index for Organic Chemistry On Line Alphabetical Index ... A-values of cyclohexyl substituents abietic acid absolute configuration acetals acetoacetic ester alkylation acceptor reactant in the aldol reaction
