PMID- 20867208
OWN - NLM
STAT- MEDLINE
DCOM- 20110112
LR  - 20100927
IS  - 1079-7114 (Electronic)
IS  - 0031-9007 (Linking)
VI  - 104
IP  - 22
DP  - 2010 Jun 4
TI  - Torsional network model: normal modes in torsion angle space better correlate 
      with conformation changes in proteins.
PG  - 228103
AB  - We introduce the torsional network model (TNM), an elastic network model whose 
      degrees of freedom are the torsion angles of the protein backbone. Normal modes 
      of the TNM displace backbone atoms including C(beta) maintaining their covalent 
      geometry. For many proteins, low frequency TNM modes are localized in torsion 
      space yet collective in Cartesian space, reminiscent of hinge motions. A smaller 
      number of TNM modes than anisotropic network model modes are enough to represent 
      experimentally observed conformation changes. We observed significant correlation 
      between the contribution of each normal mode to equilibrium fluctuations and to 
      conformation changes, and defined the excess correlation with respect to a simple 
      neutral model. The stronger this excess correlation, the lower the predicted free 
      energy barrier of the conformation change and the fewer modes contribute to the 
      change.
FAU - Mendez, Raul
AU  - Mendez R
AD  - Centro de Biologia Molecular Severo Ochoa, (CSIC-UAM), Cantoblanco, 28049 Madrid, 
      Spain.
FAU - Bastolla, Ugo
AU  - Bastolla U
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20100603
PL  - United States
TA  - Phys Rev Lett
JT  - Physical review letters
JID - 0401141
RN  - 0 (Proteins)
SB  - IM
MH  - *Models, Molecular
MH  - Protein Conformation
MH  - Proteins/*chemistry
MH  - Thermodynamics
EDAT- 2010/09/28 06:00
MHDA- 2011/01/13 06:00
CRDT- 2010/09/28 06:00
PHST- 2009/11/23 00:00 [received]
PHST- 2010/09/28 06:00 [entrez]
PHST- 2010/09/28 06:00 [pubmed]
PHST- 2011/01/13 06:00 [medline]
AID - 10.1103/PhysRevLett.104.228103 [doi]
PST - ppublish
SO  - Phys Rev Lett. 2010 Jun 4;104(22):228103. doi: 10.1103/PhysRevLett.104.228103. 
      Epub 2010 Jun 3.