Cover Image, Volume 114, Issue 5
Article first published online: 20 JAN 2014
Copyright © 2014 Wiley Periodicals, Inc.
International Journal of Quantum Chemistry
Volume 114, Issue 5, pages i–ii, 5 March 2014
How to Cite
(2014), Cover Image, Volume 114, Issue 5. Int. J. Quantum Chem., 114: i–ii. doi: 10.1002/qua.24608
- Issue published online: 20 JAN 2014
- Article first published online: 20 JAN 2014
- Cited By
On page 305, José S. Duca and Jason B. Cross review the concept of combining information from electrostatic potential surfaces and nonbonding orbitals to determine the nature and directionality of intermolecular interactions, particularly those that are infrequently exemplified in the protein data bank. They present a different way of thinking about these interactions, generally applicable to other nontraditional and infrequently observed interactions, using the application of molecular modeling and structure-informed design (SID) to drug discovery. Strategies are offered for the incorporation of descriptions of electrostatic potential surfaces and nonbonding orbitals into the drug discovery process.