Anything in AMBER?
Yes, you can use WHAM-2D
I am planning to calculate binding affinities for a set of ligands to my protein of interest, both the wild type as well as mutated form. The crystal structure for the particular conformation of...
08 September 2015 9,864 6 View
I have docked a known inhibitor to my protein and the initial docking energy was ~ 5Kcal/mol. I ran 40ns simulation using AMBER and when I performed MMGBSA analysis on this complex, the binding...
07 August 2015 8,990 7 View
I have been successful in generating the homology model of the catalytic region of a chitin deacetylase protein but am facing some difficulties while simulating the protein. (My protein has...
05 June 2015 9,188 6 View
The stability of the Solar System is a complex subject that blends the classical framework of Newtonian mechanics with the modern insights provided by General Relativity (GR). Understanding this...
07 August 2024 2,569 1 View
Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...
07 August 2024 269 3 View
I am planning to collect human fecal samples for metatranscriptomic analysis using MGI. These samples are from indigenous people living in a region with high temperatures. I will have access to a...
06 August 2024 1,367 3 View
Are there any statistical methods to justify your sampling technique using SPSS or AMOS?
05 August 2024 9,153 4 View
I am conducting a qualitative study that uses interviews to investigate the perceptions of teachers about a particular leadership practice and I am focusing on 3 schools which have a total number...
01 August 2024 8,457 10 View
Hello,, The metal complex ligand appears incomplete in the screen of the discovery studio visualizer
30 July 2024 3,354 1 View
Hello! I am trying to calculate the sumatriptan molecule, but it has been counting for five days and it does not stop. It seems to me that it is too long and I am doing something wrong. Please...
25 July 2024 3,364 5 View
The aim of the research here is to prevent the propagation of the crack in the fabricated elastic medium with useful applications.
25 July 2024 9,976 3 View
I am an undergraduate mechanical engineering student seeking suggestions on topics related to either thermodynamics, fluid mechanics, heat transfer or renewable energy for my final year project....
24 July 2024 4,058 5 View
Consider the case of negligible gravity but there is an accelerating reference frame. Its origin traces out a trajectory, or world line, seen in some inertial reference frame. The Lorentz metric...
24 July 2024 1,608 15 View
