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Questions related from Alex Rayevsky
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
06 December 2023 4,708 0 View
Dear colleagues and Gromacs users, How can I represent a radius of gyration result with a single chat on the graphic? I need to show something like Rutin as a potential inhibitor to target...
08 April 2022 3,100 0 View
Hi all! Could anyone explain and clarify whether it is possible to run Random Accelerated Molecular Dynamics Simulation in gromacs environment? Here is a list of associated papers, which describe...
23 April 2020 6,285 0 View
Hi all! I have a question concerning immersion of the ion channel (four subunits with extracellular domains and a bundles of helixes) into the lipid bilayer. 6 years ago I used some tutorial or...
18 February 2018 3,955 1 View
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...
26 January 2018 4,239 1 View
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...
01 January 1970 9,018 3 View
