𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Signatures of molecular recognition from the topography of electrostatic potential

✍ Scribed by Dhimoy K. Roy; P. Balanarayan; Shridhar R. Gadre

Book ID
107584548
Publisher
Indian Academy of Sciences,Royal Society of Chemistry
Year
2009
Tongue
English
Weight
348 KB
Volume
121
Category
Article
ISSN
0253-4134

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Electron correlation effects on the topo
Electron correlation effects on the topography of molecular electrostatic potentials
✍ Sudhir A. Kulkarni πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 421 KB

The effect of the inclusion of electron correlation at the MP2 level on the MESP topography is investigated. The change is analyzed in terms of the MESP value as well as eigenvalues at the critical point (CP). The pi-bond and lone-pair minima become more shallow and flat, and all the CPs indicating

Molecular electrostatic potential as a f
Molecular electrostatic potential as a factor of drug–receptor recognition
✍ Felix S. Dukhovich; Michael B. Darkhovskii πŸ“‚ Article πŸ“… 2003 πŸ› John Wiley and Sons 🌐 English βš– 711 KB

## Abstract When a drug molecule approaches a non‐specific acceptor both molecules are in electrostatic fields of equal sign which prevents drug–acceptor complex formation. At the same time, the drug–acceptor system does not achieve the thermodynamic global minimum. Otherwise, when a certain drug i