Which force field should be used to simulate protein-protein complex in gromacs?

Hi, I have done a protein-protein docking. Now I want to perform MD in gromacs. I am confused with forcefields. When I tried to findout, everywhere it is written for protein-ligand but I couldn't...

29 September 2020 1,410 3 View

Is there a method to quantify a particular protein of interest from the crude extract?

I want to quantify a protein of ~ 7 kDa ( not a recombinant or amplified) from the crude protein extract. The sequence of the protein is known and has only one UV absorbing aminoacid.

04 February 2020 7,574 4 View

How to set the axis of fft2 in matlab for spatial wave?

I have some data of radiances over latitude and longitude. When we do fft, the frequency window is from -fs/2 to fs/2. But, when we do fft2, what will be in the x axis and y axis? -spatial...

16 November 2019 8,956 3 View

Can anyone suggest me package in R for data preprocessing in gene expression data?

I am working in gene expression profiles of alzheimer's patients obtained from an orgsnization. The data is in raw and unstructures format. I am new to data analysis. I came to know that R can be...

02 March 2019 9,930 2 View

How to use non-boussinesq approximation in ansys fluent?

have to analyse convective and radiative losses from a structure using non-boussinesq approximation. how do i do it

31 May 2018 4,546 3 View

How to obtain proper flux line distribution in motor through FEA simulation?

22 June 2017 1,876 2 View

Keyless car ignition systems

There are many problems associated with keyless car ignition.What are the ways the car can be turned off automatically when it is left in the on state unknowingly by the user.

16 April 2016 9,825 4 View

What are the techniques to improve the torque density of slotless brushless motors ?

Slotless motors have greater advantage of zero cogging torque. However torque density is less compared to slotted machines. what are the techniques to improve the torque density of slotless...

11 February 2016 4,121 3 View

How can I calculate the oxidation potential of a molecule using gaussian software?

Can you please help me to find the oxidation potential of a mechanically interlocked molecule using Gaussian software?

07 December 2015 1,596 5 View

Can anyone help with classification from text to web page?

10 August 2014 4,836 7 View

What is the production process of CaFe ferroalloys?

I looking for ferro calcium production process

03 March 2021 1,755 4 View

12% ledeburitic cold work tool steel, etched for revealing retained austenite, any help for clarifying?

Hello everyone. Given microstructure image belongs to a 12% ledeburitic cold work tool steel (annealed and tempered). The sample was etched with picral (100 mL ethanol and 4 g picric acid). I...

02 March 2021 4,119 3 View

Why Austenite grains in steel show much more twinning than ferrite grains?

It is oftentimes said to be a distinctive metallographic trait that differentiates a fully austenitic and a fully felly ferritic steel without etching that might distinguish between two. Why...

02 March 2021 728 2 View

How Can I bring as much common elements in steel as possible to calculate stable phase(s) in OpenCalphad?

As I was tweaking step-by-step OpenCalphad6 Macros step1.ocm involving phase and thermal property calculation of a High-speed steel, I could not incorporate more than 6 elements in the steel...

01 March 2021 8,840 1 View

I need to accelerate corrosion in steel parts that are used in a salt-water environment. Is there a technique for doing so?

I have a structure that employs d-ring swiveling tie-downs that corrode during use and become "frozen". I have sample swivel assemblies that I wish to corrode to see if I can free them using one...

01 March 2021 3,739 3 View

Why is my platinum counter electrode getting dirty during electrodeposition?

I am conducting anodic electrodeposition of MnO2 onto a stainless steel substrate, using a platinum strip as a counter electrode. This is done galvanostatically, with the current held between 5...

27 February 2021 1,829 3 View

What kind of steel moulds are used for hot pressing metal powders?

My main concern is that the metal powders should not weld to the mold surface and I should easily be able to eject out the pressed samples. I am looking for alternative for graphite moulds. The...

22 February 2021 2,965 4 View

What are effects of steel jacketing on flexural strength?

Dear all, If steel jacketing is used to retrofit a reinforced-concrete (RC) column, can we use it to improve flexural strength? I understand that we leave gaps between the ends of the jacket and...

22 February 2021 1,906 5 View

How to model steel jackets using SeismoStruct?

Hi all, Does SeismoStruct support modeling rectangular RC columns retrofitted with steel jackets (e.g. rectangular, elliptical) ? Any suggestions for other software (apart from...

20 February 2021 4,521 1 View

What is the difference between the supplementary cementitious materials and alkali-activated concrete?

18 February 2021 9,188 3 View