Beyond the electrostatic model: the significant roles of orbital interaction and the dispersion effect in aqueous–π systems

2017 ◽  
Vol 19 (2) ◽  
pp. 1298-1302 ◽  
Author(s):  
Rundong Zhao ◽  
Rui-Qin Zhang
Keyword(s):  
Orbital Interaction ◽  
Electrostatic Model ◽  
Dispersion Effect ◽  
Π Interactions ◽  
Unified Description

The importance of orbital interaction in aqueous–π interactions is explored in detail and a unified description is proposed.

A new insight into π–π stacking involving remarkable orbital interactions

2016 ◽  
Vol 18 (36) ◽  
pp. 25452-25457 ◽  
Author(s):  
Rundong Zhao ◽  
Rui-Qin Zhang
Keyword(s):  
Orbital Interaction ◽  
Orbital Interactions ◽  
Π Interactions ◽  
Π Stacking ◽  
Unified Description ◽  
Insight Into

The importance of orbital interaction in π–π interactions is explored in detail and a unified description of π–π stacking is proposed.

scholarly journals Cation–π interactions in CREBBP bromodomain inhibition: an electrostatic model for small-molecule binding affinity and selectivity

2016 ◽  
Vol 14 (46) ◽  
pp. 10926-10938 ◽  
Author(s):  
Wilian A. Cortopassi ◽  
Kiran Kumar ◽  
Robert S. Paton
Keyword(s):  
Binding Affinity ◽  
Small Molecule ◽  
Interaction Strength ◽  
Electrostatic Model ◽  
New Model ◽  
Π Interactions

A new model is presented to explain and predict binding affinity of aromatic and heteroaromatic ligands for the CREBBP bromodomain based on cation–π interaction strength.

On a Nonlinear Dispersion Effect of Geodesic Acoustic Modes

2013 ◽  
Vol 8 (0) ◽  
pp. 1403010-1403010 ◽  
Author(s):  
Makoto SASAKI ◽  
Kimitaka ITOH ◽  
Naohiro KASUYA ◽  
Klaus HALLATSCHEK ◽  
Sanae-I. ITOH
Keyword(s):  
Nonlinear Dispersion ◽  
Dispersion Effect ◽  
Acoustic Modes
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