This title appears in the Scientific Report :
2007
Please use the identifier:
http://dx.doi.org/10.1088/0953-8984/19/28/285215 in citations.
Please use the identifier: http://hdl.handle.net/2128/23009 in citations.
Protein Simulations combining an All-Atom Force Field with a Go-Term
Protein Simulations combining an All-Atom Force Field with a Go-Term
Using a variant of parallel tempering, we study the changes in sampling within a simulation, when the all- atom model is coupled to a Go- like potential. We find that the native structure is not the lowest- energy configuration in the all- atom force field. Adding a Go term deforms the energy landsc...
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Personal Name(s): | Meinke, J. |
---|---|
Hansmann, U. H. E. | |
Contributing Institute: |
John von Neumann - Institut für Computing; NIC |
Published in: | Journal of physics / Condensed matter, 19 (2007) S. 285215 |
Imprint: |
Bristol
IOP Publ.
2007
|
Physical Description: |
285215 |
DOI: |
10.1088/0953-8984/19/28/285215 |
Document Type: |
Journal Article |
Research Program: |
Scientific Computing |
Series Title: |
Journal of Physics: Condensed Matter
19 |
Subject (ZB): | |
Link: |
Get full text OpenAccess OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/23009 in citations.
Using a variant of parallel tempering, we study the changes in sampling within a simulation, when the all- atom model is coupled to a Go- like potential. We find that the native structure is not the lowest- energy configuration in the all- atom force field. Adding a Go term deforms the energy landscape in such a way that the native configuration becomes the global minimum but does not lead to faster thermalization. |