Abbas Khan

11 Questions 18 Answers 0 Followers

Questions related from Abbas Khan

Error in gromacs MPI installation.?

Hi everyone, I am installing gromacs(2019) on my desktop. I could successfully install gromacs but when building mpi version it shows the following error. I have applied all the possible ways,...

05 May 2019 6,518 5 View

Features extraction from protein 3D structures?

Hi Everyone, I want to extract features from proteins 3D structures. Can anyone suggest a methodology, software or server to carry out this process? Thanks in Advance.

10 October 2018 5,400 0 View

30-50% of MS Spectrum detected from tissue samples are unmatched with the available protein database?

30-50% of MS spectrums are detected from Tissue or Cell samples are unmatched with the available protein sequence database? Can anyone suggest a methodological flow for this problem. Thanks!

10 October 2018 7,164 3 View

How can we merge different Microarray datasets from GEO for DEGs Analysis?

Hi Everyone, I'm using microarray data to identify DEGs and map its PPI network but now I want to use multiple datasets reported by different studies in Acute Myeloide Leukemia (AML). Please...

03 March 2017 7,619 7 View

I'm trying to do a comple simulation in Gromacs but it is showing the following Error, how to solve this?

Residue 97 named ARG of a molecule in the input file was mapped to an entry in the topology database, but the atom CG used in that entry is not found in the input file. Perhaps your atom and/or...

02 February 2017 4,204 1 View

Gromacs simulation of Metaloproteins?

Hi everyone, Hope you will be doing well. I'm new in the field of simulation and using Gromacs. , I appreciate your efforts the way you provided step by step tutorials. , I'm simulation a protein...

02 February 2017 3,597 1 View

I am having continous problem in ./runn.in file when using Amber 12.?

After completing MD the following error is showing again and again. Anyone please. Error: Could not set up parm file prmtop for reading.Error: Could not open parm prmtop CPPTRAJ: Trajectory...

11 November 2016 7,398 9 View

I am having a problem while using Amber for MD simulation?

When I am entering energy minimization command "Pmemd.cuda" it is showing Pmemd terminated abnormally. what could be the possible solution? In Molecular Dynamic Simulation this problem is...

06 June 2016 5,844 6 View

Journal of Medicinal Chemistry publishing fee?

can anyone let me know about the publishing fee of Journal of Medicinal Chemistry?

01 January 2016 8,766 3 View

Homology modeling of a proteins sequence length 3390 amino acids?

I want to build Homology model of a protein whose sequence length is 3390 amino acids. Please let me know is it possible to build the homology model of such a large protein and if so how far we...

01 January 2016 7,679 7 View

Does RMSD vary with protein sequence length?

RMSD is usually taken as below 2 but if the length of Proteins is too high or large, is it affect RMSD or not? if, then how much it vary from sequence to sequence

12 December 2015 7,885 3 View