How to interpret the RDF plots?

I have studied the structural changes of a protein in 3 different concentrations of ionic liquids (50 mM, 500 mM, and 1M). On analysis of the RDF plots, I find that the magnitude of the RDF plot...

05 October 2020 4,972 2 View

Which is the best way to find the number of water molecules around the protein?

Dear all, I am trying to calculate the number of water molecules at a distance of 0.35A from the protein. I used two gmx select GROMACS codes which have given me different answers. 1. gmx_mpi...

17 March 2020 9,117 3 View

Name few sci journals where plastic waste recycling, plastic waste blends, compatibilizer oriented works will be more relevant?

I am looking for few reputed journals to publish my work

13 December 2018 5,715 3 View

How to interpret the RDF plot?

Hi, I am studying the stabilization of proteins using different solvents using GROMACS. Attached is the RDF of the cation (black) and anion (red) around the protein. I used "gmx_mpi rdf com rdf...

18 June 2018 7,466 3 View

Can the activity of proteins be studied using molecular dynamic simulations?

I have been studying the conformational changes and stability of proteins in different solvents using MolecularDynamic Simulations. Wonder whether changes in activity of enzymes could also be...

06 April 2018 9,153 4 View

What is the better cell line to choose for studying the effect of a particular mutation in inducing tumorigenesis: normal or cancer cell line?

I need to study the effect of a particular mutation that is hypothesized to be tumorigenic. So which cell line should I choose to study its effect: a normal cell line or a cancer cell line?

15 January 2018 2,384 3 View

Can I add more than two restriction sites in my primer?

25 May 2017 8,499 5 View

Please help with geometry optimisation in GAMESS- shift in double bond

25 May 2017 2,299 6 View

How to identify the replication of NDV in embryonated eggs?

I inoculated NDV containing AAF into 9 day old SPF egg. After 72 hours of incubation, the AAF was harvested. Amplification of M and FPCS gene showed a positive PCR product. But, I am not able...

01 September 2016 8,541 2 View

What happens to the DNA from sloughed off intestine epithelial cells when extracting bacterial DNA from mouse fecal samples?

I am currently using the PowerSoil DNA extraction kit from MoBio for DNA extraction from bacteria present in mouse fecal matter. I wanted to know how the sloughed off intestine epithelial cells...

21 August 2016 5,137 1 View

error in running a model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

error in modelling model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

MGL tools

20 June 2021 0 0 View

How climate change will influences human and animal behavioral change?

The role of climate change influencing the human behavior as well as economics interest

01 June 2021 0 0 View

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

i have some problem with chtMultiRegionSimpleFoam

--> FOAM FATAL ERROR: Maximum number of iterations exceeded From function Foam::scalar Foam::species::thermo::T(Foam::scalar, Foam::scalar, Foam::scalar, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar) const) const [with Thermo = Foam::hConstThermo >; Type = Foam::sensibleEnthalpy; Foam::scalar = double; Foam::species::thermo = Foam::species::thermo >, Foam::sensibleEnthalpy>] in file /home/ubuntu/OpenFOAM/OpenFOAM-4.1/src/thermophysicalModels/specie/lnInclude/thermoI.H at line 66. FOAM aborting #0 Foam::error::printStack(Foam::Ostream&) at ??:? #1 Foam::error::abort() at ??:? #2 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::calculate() at ??:? #3 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::correct() at ??:? #4 ? at ??:? #5 __libc_start_main in "/lib/x86_64-linux-gnu/libc.so.6" #6 ? at ??:?

24 March 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 View

How to compare two groups with only two measurements?

Hiiiii everyone! I have an enquiry on statistical analysis. I was looking for many forum and it's still cannot solve my problem. I want to compare means of two groups of data but only with two...

03 March 2021 8,796 3 View

What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10?

What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10? Since, the growth curve from day 2 to 10 won't be like the "Logistic curve" it might not follow logistic...

03 March 2021 1,401 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