9 Questions 24 Answers 0 Followers
Questions related from Mohamed Hussein Hanoun
I have aryl halides derivatives contain guanidin group. I need to make suzuki coupling . How can I do this ? Please reference. I previously did it but on derivatives without the guanidin group.
12 December 2017 3,534 3 View
after suzuki coupling reaction in dioxan : water, reaction cooled to room temperature, diluted with water, extracted with ethyl acetate, ethyl acetate was dried over sodium sulphate, concentrated...
02 February 2017 458 4 View
In 3D QSAR model Q2 reults is negative. what is that mean? and can I proceed?
02 February 2016 5,935 0 View
During minimization , I found an error . By visual inspection I found clashes between the ligand and the protein . How can I solve this problem? Take into consideration that the ligand and protein...
05 May 2014 7,441 6 View
I have a molecule with phosphate group which contains a -2 charge . After minimization, new bonds appeared between the O atom and phosphate groups/ How this can be corrected?
05 May 2014 1,346 6 View
I need any source which discusses gromacs results. I performed a ptn-cplx simulation and I had bad results, so I need to ensure that results are correct. What can I do to improve the results (i.e...
04 April 2014 2,413 11 View
I need to deprotonate a specific tyrosin residue in my protein before running MD simulation using gromacs .
04 April 2014 1,514 5 View
When I ran a steep minimization this error appeared: Steepest Descents converged to machine precision in 947 steps, but did not reach the requested Fmax < 1000. Potential Energy =...
04 April 2014 6,176 7 View
I need to run a MD simulation using GROMACS. The ligand topology couldn't typed using GROMACS so I used PROGRG to generate it but it has a bad history in determining atoms charges. I then decided...
04 April 2014 4,690 10 View
