I have done molecular docking of one protein and ligand but i don't know how do i have to calculate free energy in between these two molecules? can you suggest anyone commands related to this?
Thank you for your reply.
RNA structure prediction
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why only these denaturants used why not others can anybody give explanation for this?
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i am getting big crystals by increasing MPD from 40% to 60%, is the possibility of getting mpd crystals or they are protein crystals, those crystals are not well formed plz give suggestions.
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i have protein dimer sequences of chain A and B, how can i model these two sequences? i want to get as dimer. is there any software ? can you suggest?
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How do we have to incorporate metal in model structure of protein? is there any option in autodock? i want to do docking small ligand along with metal?
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09 October 2016 1,111 0 View
08 September 2016 9,709 3 View
Basically how many nanoseconds we have to use for protein simulation? i used 20 ns for modeled structure, is it sufficient or shall i increase the time? can you suggest anyone?
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How to calculate the RMSD values for a MD simulation using MOE?
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When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.
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Hi, I am after the reference below, my library says it cannot obtain a copy either locally or internationally, any help appreciated! Chris Wang ZM, Heshka S, Wielopolski L, Pi-Sunyer FX, Pierson...
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