CCL: A review of force fields
- From: "Eric M. Bennett" <benne278%a%umn.edu>
- Subject: CCL: A review of force fields
- Date: Sat, 18 Mar 2006 11:07:51 -0600
Sent to CCL by: "Eric M. Bennett" [benne278=umn.edu]
Jeffrey L. Nauss wrote:
I find these references useful for small molecule comparisons.
Gundertofte et al. J. Comp. Chem. 1996, 17:429-49
Pettersson & Liljefors Rev. Comp. Chem. 1996, 9:167-90
Nicklaus, J. Comp. Chem. 1997, 18:1056-60
Halgren, J. Comp. Chem. 1999, 20:730-748
For proteins there is also this reference:
Price DJ, Brooks CL, III. 2002. Modern protein force fields behave
comparably in molecular dynamics simulations. J Comp Chem 23: 1045
Another good paper is
Beachy et al, JACS 1997, 119, 5908-5920
--
Eric Bennett
Center for Drug Design, University of Minnesota
http://www.cdd.umn.edu