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,...

04 May 2019 6,254 5 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!

09 October 2018 7,105 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...

02 March 2017 7,564 7 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...

01 February 2017 3,549 1 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...

01 February 2017 4,138 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...

10 November 2016 7,347 9 View

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

05 June 2016 5,593 6 View

Journal of Medicinal Chemistry publishing fee?

31 December 2015 8,719 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...

31 December 2015 7,632 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

11 December 2015 7,798 3 View

How to increase a model accuracy ?

dear community, my model is based feature extraction from non stationary signals using discrete Wavelet Transform and then using statistical features then machine learning classifiers in order to...

03 March 2021 6,994 5 View

What are the most reliable approaches to extract key continuous frames from a video, with complete automation?

I have an input video, of skin (from a microscope that means it is magnified such that blood capillaries are visible). The idea is to extract 15 sec of continuous frames from a video of 1 min,...

02 March 2021 2,735 2 View

How can extract ciprofloxacin hydrochloride disolve in water er to organic solvent such as dichloromethan or any other solvent?

I need a procedure to extract the ciprofloxacin hydrochloride from aqueous solution by using dichloromethane in detail,. I thank you very much.

01 March 2021 4,306 1 View

Which is suitable for use with Python? MySQL or SQL Server?

Which is suitable for use with Python? MySQL or SQL Server? What is your suggestion?

01 March 2021 3,422 3 View

Which bacteria are suitable for quorum sensing screening?

I want to find a quorum sensing inhibitor from plant extracts. Klebsiella pneumoniae, Moraxella catarrhalis, Staphylococcus aureus, and Streptococcus pneumoniae. I looked for these strains...

01 March 2021 7,675 3 View

Can Virtual Servers (remote dekstop manager) run heavy ANSYS Fluent CFD simulation ?

I have a virtual machine. My host Pc specs are not that good thats why i went for virtual servers. so basically my host pc has 8gb of ram with nvidia quadro k2200 4Gb DDR5 GPU ,processor intel...

01 March 2021 8,415 1 View

How to perform statistical analysis of coefficients extracted from transform techniques?

I am studying the potential of DCT and FFT coefficients extracted from a signal to classify the different objects that emit the signal. I applied the Shapiro-Wilk to confirm that data was not...

01 March 2021 8,079 2 View

What is the most suitable server for predicting protein structures in bacteria?

I have used the i-Tasser several times, however it has been unavailable for several days. I tried the swiss-model, but the output was not very pleasant due to the model used. Is there any other...

28 February 2021 4,521 3 View

How to remove fatty material from plant extract?

The resultant solid was partitioned three times with 250 ml of petroleum ether (40-60/c) to remove any fatty material and evaporated to dryness.

28 February 2021 9,464 2 View

Can water be extracted from Olivine?

I have always been interested in geology and wondered about how unique structures of materials behave in different circumstances. I stumbled upon Olivine, the magnesium iron silicate, and heard...

28 February 2021 7,330 4 View