𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The molecular electrostatic potential and drug design

✍ Scribed by Gérard Pèpe; Didier Siri; Jean-Pierre Reboul


Book ID
113257765
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
685 KB
Volume
256
Category
Article
ISSN
0166-1280

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Molecular surface electrostatic potentia
✍ Jane S. Murray; Fakher Abu-Awwad; Peter Politzer; Leslie C. Wilson; Allan S. Tro 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 421 KB 👁 1 views

The computed molecular surface electrostatic potentials of a group of anticonvulsants of various chemical types were investigated with the objective of identifying common features that may be related to their activities. The calculations were carried out with the density functional B3P86r6-31G\* pro

Molecular electrostatic potential as a f
✍ Felix S. Dukhovich; Michael B. Darkhovskii 📂 Article 📅 2003 🏛 John Wiley and Sons 🌐 English ⚖ 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