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Dear all, I have to analyze the trajectory and calculate all distances between a group of atoms (each separate particle) and all the surrounding waters, which were at the distance cutoff
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Hi all! Well, I have a protein (TubulinG) X-ray, however it lacks last 10-11 residues, which are probably exposured to the solvent (and it seems are flexible enough to be invisible for X-ray). The...
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Dear all! How do You think, is it possible to run an MD simulation of the protein with a fully rotatable bond (changing amide rigidity) in the middle of the reconstructed disordered region? I...
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