Extended electrostatics

In case of the rigid lock-and-key type receptor forming five hydrogen bonds plus two extended electrostatic attractions (Fig. 3a), one mismatched hydrogen bond will result in only a small reduction in overall binding free energy 4.18-8.36 kJ mol (1-2 kcal mol ) out of... 

Long-range interactions and extended electrostatics—Chapter 5. 

Figure 7-2. Properties of CAII active site in the COHH state (zinc-bound hydroxide and protonated His 64). (a) Superposition of a few key residues from two stochastic boundary SCC-DFTB/MM simulations with the X-ray structure [87] (colored based on atom-types) the two sets of simulations did not have any cut-off for the electrostatic interactions between SCC-DFTB and MM atoms but used different treatments for the electrostatic interactions among MM atoms group-based extended electrostatics (in yellow) and atom-based force-shift cut-off (in green). Extended electrostatics simulations sampled configurations with the protonated His 64 too close to the zinc moiety while force-shift simulations consistently sampled the out configuration of His 64 in multiple trajectories, (b) Statistics for productive water-bridges (only from two and four shown here) between the zinc bound water and His 64 with different electrostatics protocols...

Figure 2. A schematic of the partitioning in the extended electrostatics model. The extended electrostatics model approximates the full electrostatic interaction by partitioning the electric potential and the resulting forces at atom i into a "Near" and an "Extended" contribution. The near contribution, arises from the charged...

The result of such extended electrostatic energy barriers in... 

Silicone rulflier extender Electrostatic coating Fluidized bed coatings Host all coatings and paints... 

A large, extended electrostatic potential region and weak electrostatic field (hydrophobic) regions appear to favor the potent activity of the compounds. 

---