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
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📜 SIMILAR VOLUMES
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
## 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