A review discusses the basic concepts of the Car-Parrinello method, some of the recent methodol. extensions, focusing on aspects with potential interest for applications in medicinal chem., and the advantages and limitations of new modeling tools.
Title
Advances in density-functional-based modeling techniques - Recent extensions of the Car-Parrinello approach
Published in
Methods and Principles in Medicinal Chemistry
Series
Methods and Principles in Medicinal Chemistry, 17
Pages
5-39
Date
2003
Publisher
Weinheim, Wiley-VCH
Record creation date
2006-02-27