I want to study the role of different structural factors which helps in stability and activity of Enzyme in different habitat. they have basic level of similarity in amino acids sequence (40%)
I guess you can try to follow GROMACS tutorial. Maybe doing the equilabration phase using simulated annealing.
Because many scientist groups are working on this problem. Success rate at laboratory level had been reported but at field level hardly we will find any story.
10 November 2017 9,028 0 View
I have a .pdb file, in this file when I want to use pdb2gmx command> there is this error massage:> Fatal error:> Incomplete ring in HIS680Ask What should to do?
06 July 2015 5,114 12 View
During add ions steps using Gromacs the overall charge on my protein was calculated qtot -35 So i have to add positive ions to neutralize the charge on protein. then i have added 35 Na ions using...
06 July 2015 4,497 3 View
During MD simulations i got fatal error during energy minimization step after commend: gmx grompp -f minim.mdp -c 2HQA_modified_solv_ions.gro -p topol.top -o em.tpr Fatal error:number of...
06 July 2015 1,963 2 View
06 July 2015 4,134 3 View
During MD simulations i got fatal error during energy minimization step after commend: gmx grompp -f minim.mdp -c 2HQA_modified_solv_ions.gro -p topol.top -o em.tpr Fatal error:Too many warnings...
06 July 2015 6,067 4 View
07 August 2014 2,198 8 View
Computational approach
11 December 2013 9,861 2 View
I am just starting work on xylanase. Can you suggest an appropriate site for sample collection of xylanase?
05 June 2012 2,534 6 View
Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...
03 March 2021 9,989 2 View
I am on the lookout for the Enhanced Yellow Fluorescent Protein (Aequorea victoria) DNA sequence. Does anyone know where I can find it? Thank you in advance
03 March 2021 3,568 1 View
I am try to make the Paal Knorr reaction between 2.5 hexnedione and 6-amino hexanoic acid, my problem is type of solvent to use, because 6-hexaminohexanoic acid is soluble in water but I am not...
02 March 2021 4,443 2 View
Gel electrophoresis, RNA degradation, RNA extraction from fresh tissue
02 March 2021 5,433 5 View
Hi all, I need to cleave the ester in Ethyl 2-amino-1H-imidazole-5-carboxylate to make the carboxylic acid and retrieve the product from solution to use in downstream applications of linking to...
01 March 2021 8,766 3 View
Also when RHAMM binds hyaluronic acid, they get internalized, will RHAMM also be degraded? Or both CD44 and RHAMM will be transferred back to the cell membrane? Asking for breast cancer cell line...
01 March 2021 8,169 2 View
Hi, I want to calculate the radial distribution function for water molecules around the Na+ ions adsorbed on the surface of a spherical nanoparticle using the gromacs trajectory dynamically? For...
28 February 2021 5,650 1 View
hi everyone, I'm interested in the field of vaccine design specifically multi-epitope cancer vaccines , I want to know if there is a minimum and maximum number of epitopes we could use in a...
27 February 2021 3,882 3 View
based on what I've studied on multiple papers, for peptide and protein identification Alpha-cyano-4-hydroxycinnamic acid (CHCA) is an appropriate matrix to use, I also know that the CHCA powder...
26 February 2021 6,799 3 View
Dear all, I am trying to perform a MD simulation about the interaction between CO2 and a polymer. I create my model, solvate it and perform the NVT and NPT equilibration. Now I am not able to...
26 February 2021 10,014 3 View