PMID- 18496591
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20211020
IS  - 0032-3861 (Print)
IS  - 0032-3861 (Linking)
VI  - 49
IP  - 6
DP  - 2008 Mar 17
TI  - Position and Orientation Distributions for Locally Self-Avoiding Walks in the 
      Presence of Obstacles.
PG  - 1701-1715
AB  - This paper presents a new approach to study the statistics of lattice random 
      walks in the presence of obstacles and local self-avoidance constraints (excluded 
      volume). By excluding sequentially local interactions within a window that slides 
      along the chain, we obtain an upper bound on the number of self-avoiding walks 
      (SAWs) that terminate at each possible position and orientation. Furthermore we 
      develop a technique to include the effects of obstacles. Thus our model is a more 
      realistic approximation of a polymer chain than that of a simple lattice random 
      walk, and it is more computationally tractable than enumeration of 
      obstacle-avoiding SAWs. Our approach is based on the method of the 
      lattice-motion-group convolution. We develop these techniques theoretically and 
      present numerical results for 2-D and 3-D lattices (square, hexagonal, cubic and 
      tetrahedral/diamond). We present numerical results that show how the connectivity 
      constant mu changes with the length of each self-avoiding window and the total 
      length of the chain. Quantities such as R and others such as the probability of 
      ring closure are calculated and compared with results obtained in the literature 
      for the simple random walk case.
FAU - Skliros, Aris
AU  - Skliros A
AD  - Department of Mechanical Engineering, Johns Hopkins University, Baltimore, MD 
      21218, USA, Email: askliro1@jhu.edu.
FAU - Chirikjian, Gregory S
AU  - Chirikjian GS
LA  - eng
GR  - R01 GM075310/GM/NIGMS NIH HHS/United States
GR  - R01 GM075310-01/GM/NIGMS NIH HHS/United States
GR  - R01 GM075310-02/GM/NIGMS NIH HHS/United States
GR  - R01 GM075310-03/GM/NIGMS NIH HHS/United States
PT  - Journal Article
PL  - England
TA  - Polymer (Guildf)
JT  - Polymer
JID - 0357015
PMC - PMC2390830
MID - NIHMS43316
EDAT- 2008/05/23 09:00
MHDA- 2008/05/23 09:01
PMCR- 2008/05/21
CRDT- 2008/05/23 09:00
PHST- 2008/05/23 09:00 [pubmed]
PHST- 2008/05/23 09:01 [medline]
PHST- 2008/05/23 09:00 [entrez]
PHST- 2008/05/21 00:00 [pmc-release]
AID - 10.1016/j.polymer.2008.01.056 [doi]
PST - ppublish
SO  - Polymer (Guildf). 2008 Mar 17;49(6):1701-1715. doi: 
      10.1016/j.polymer.2008.01.056.