PMID- 19603966
OWN - NLM
STAT- MEDLINE
DCOM- 20090916
LR  - 20240511
IS  - 1089-7690 (Electronic)
IS  - 0021-9606 (Print)
IS  - 0021-9606 (Linking)
VI  - 131
IP  - 2
DP  - 2009 Jul 14
TI  - The multiscale coarse-graining method. IV. Transferring coarse-grained potentials 
      between temperatures.
PG  - 024103
LID - 10.1063/1.3167797 [doi]
LID - 024103
AB  - This work develops a method for the construction of multiscale coarse-grained 
      (MS-CG) force fields at different temperatures based on available atomistic data 
      at a given reference temperature. The validity of this theory is demonstrated 
      numerically by applying it to construct MS-CG models of the Lennard-Jones liquid 
      and simple point charge water model systems.
FAU - Krishna, Vinod
AU  - Krishna V
AD  - Department of Chemistry and Center for Biophysical Modeling and Simulation, 
      University of Utah, Salt Lake City, Utah 84112-0850, USA.
FAU - Noid, Will G
AU  - Noid WG
FAU - Voth, Gregory A
AU  - Voth GA
LA  - eng
GR  - F32 GM076839/GM/NIGMS NIH HHS/United States
GR  - 5 F32 GM076839-02/GM/NIGMS NIH HHS/United States
PT  - Journal Article
PT  - Research Support, N.I.H., Extramural
PT  - Research Support, U.S. Gov't, Non-P.H.S.
PL  - United States
TA  - J Chem Phys
JT  - The Journal of chemical physics
JID - 0375360
RN  - 059QF0KO0R (Water)
SB  - IM
MH  - *Computer Simulation
MH  - *Models, Theoretical
MH  - Phase Transition
MH  - *Temperature
MH  - Water/*chemistry
PMC - PMC2721766
EDAT- 2009/07/17 09:00
MHDA- 2009/09/17 06:00
PMCR- 2010/07/14
CRDT- 2009/07/17 09:00
PHST- 2009/07/17 09:00 [entrez]
PHST- 2009/07/17 09:00 [pubmed]
PHST- 2009/09/17 06:00 [medline]
PHST- 2010/07/14 00:00 [pmc-release]
AID - 022927JCP [pii]
AID - 10.1063/1.3167797 [doi]
PST - ppublish
SO  - J Chem Phys. 2009 Jul 14;131(2):024103. doi: 10.1063/1.3167797.