5 search results - page 1 / 1 » Searching for saddle points of potential energy surfaces by ... |
JCC
1998
13 years 5 months ago
1998
JCB
2006
13 years 5 months ago
2006
The task of finding saddle points on potential energy surfaces plays a crucial role in understanding the dynamics of a micromolecule as well as in studying the folding pathways of...
JCC
2010
13 years 4 months ago
2010
: The minimum energy path (MEP) is an important reaction path concept of theoretical chemistry, and the nudged elastic band (NEB) method with its many facets is a central method to...
ISBI
2004
IEEE
14 years 6 months ago
2004
IEEE
High energy traumatic impact of the craniofacial skeleton is an inevitable consequence of today's fast paced society. The work presented in this paper leverages recent advanc...
TMI
2002
13 years 5 months ago
2002
Inflammatory disease is initiated by leukocytes (white blood cells) rolling along the inner surface lining of small blood vessels called postcapillary venules. Studying the number ...