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Ibrahim Ali NoorBatcha

tools for CNT-biosensors

What tools are more appropriate for modelling biomolecules absorbed on CNT for biosensing?

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    mohamed khairy mohamed

    I am working on CNTFET biosensor for DNA detection, so any suggestion for appropriate simulation tools?

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    abhishek gottipati


    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 2) AMBER

    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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