TY  - JOUR
AU  - Zimmermann, O.
AU  - Hansmann, U. H. E.
TI  - Understanding protein folding: Small proteins in silico
JO  - Biochimica et biophysica acta / Proteins and proteomics
VL  - 1784
SN  - 1570-9639
CY  - Amsterdam [u.a.]
PB  - Elsevier
M1  - PreJuSER-62830
SP  - 252 - 258
PY  - 2008
N1  - Record converted from VDB: 12.11.2012
AB  - Recent improvements in methodology and increased computer power now allow atomistic computer simulations of protein folding. We briefly review several advanced Monte Carlo algorithms that have contributed to this development. Details of folding simulations of three designed mini proteins are shown. Adding global translations and rotations has allowed us to handle multiple chains and to simulate the aggregation of six beta-amyloid fragments. In a different line of research we have developed several algorithms to predict local features from sequence. In an outlook we sketch how such biasing could extend the application spectrum of Monte Carlo simulations to structure prediction of larger proteins.
KW  - Algorithms
KW  - Computational Biology: methods
KW  - Computer Simulation
KW  - Models, Molecular
KW  - Monte Carlo Method
KW  - Protein Conformation
KW  - Protein Folding
KW  - Proteins: chemistry
KW  - Proteins (NLM Chemicals)
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
C6  - pmid:18036571
C2  - pmc:PMC2244683
UR  - <Go to ISI:>//WOS:000253013200025
DO  - DOI:10.1016/j.bbapap.2007.10.010
UR  - https://juser.fz-juelich.de/record/62830
ER  -