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Role of the electrostatic potential on the bk potassium channel conductance.
(BIOPHYSICAL SOCIETY, 2005)
Atomic Charges and the Electrostatic Potential Are Ill-Defined in Degenerate Ground States
(American Chemical Society, 2013)
A system in a spatially degenerate ground state
responds in a qualitatively different way to positive and
negative point charges. This means that the molecular
electrostatic potential is ill-defined for degenerate ...
Electrostatic Interactions Are Not Sufficient to Account for Chitosan Bioactivity
(AMER CHEMICAL SOC, 2010)
Recent studies involving chitosan interacting with phospholipid monolayers that mimic cell membranes have brought molecular-level evidence for some of the physiological actions of chitosan, as in removing a protein from ...
Nucleophilicity index from perturbed electrostatic potentials
(2007)
We introduce and test a nucleophilicity index as a new descriptor of chemical reactivity. The index is derived from a perturbation model for the interaction between the nucleophile and a positive test charge. The computational ...
NTL9 folding at constant pH: The importance of electrostatic interaction and pH dependence
(2016-07-12)
The folding process of the N-terminal domain of ribosomal protein L9 (NTL9) was investigated at constant-pH computer simulations. Evaluation of the role of electrostatic interaction during folding was carried out by including ...