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Ibrahim Ali NoorBatcha
24 Sep 2009
tools for CNT-biosensors
What tools are more appropriate for modelling biomolecules absorbed on CNT for biosensing?
mohamed khairy mohamed
25 Apr 2011
I am working on CNTFET biosensor for DNA detection, so any suggestion for appropriate simulation tools?
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09 Jun 2011
I am not much into simulations. I was doing some background research and this is what I have come across. I did not delve much into it. This list given is very small and limiting. Please do cross-check them.
Most of the papers I read were MOLECULAR DYNAMICS SIMULATIONS.
1) Optimized Potential for Liquid Simulation (OPLS) BOSS, TINKER, GROMACS, Abalone,etc implement OPLS field forces
I read papers mostly for MD studies of DNA-CNT interactions and cell membrane- CNT interactions where – pressure conditions were imposed by : Parrinello- Rahman barostat – temp : Berendson thermostat – AMBER force field : for DNA – IP3P model : water – LJ potential for steric interactions and van-der-waals forces – cosine potential for angles – Empirical potential for swCNTs using Morse Potential
onte Carlo Simulation studies for metal functionalization of CNTs.
I do not have the citations now. I just have some notes.
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