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

Usage of steel slag in GPC offers strength ?

Steel slag is used as partial replacement of fine aggregate and coarse aggregate. Does it increases strength of Geopolymer concrete (GPC)? Is there any relevant articles available ?

02 February 2020 3,245 7 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

How to repeat an operation on an atom selection for multiple times in PyMol?

Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...

02 March 2021 4,569 4 View

How to define and get results (stresses) for certain points of a model in abaqus, using python? When the size of the model changes?

I want to do a parameter study of a aixsymmetric cylinder in Abaqus. I want to create several jobs where I get the stresses for 3 different points in my model. These points are defined. I wrote a...

01 March 2021 10,078 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

Can anyone provide the Support vector regression code structure of LIBSVM MATLAB or python ?

Please, if Gaussian Parameter optimization is possible in this code structure

28 February 2021 278 3 View

How to modify Johnson cook equation in ABAQUS?

I wanted to add an extra parameter to the existing Johnson cook equation in the ABAQUS simulation. How to add those extra parameters. Ref: A modified Johnson-Cook material model with strain...

28 February 2021 4,841 3 View

No module named 'tensorflow.keras.backend.tensorflow_backend' ?

System Description Cuda 11.2 GeForce GTX 1080ti tensorflow version 2.4.1 keras version 2.2.0 python version 3.8 I was getting the below error when I try to run my code on the...

25 February 2021 6,673 2 View

Implementation of chance-constrained optimization problem via scenario approach?

23 February 2021 7,826 2 View

Bayesian decision trees and bayesian regression trees in Python and/or R?

I am looking for implementation of bayesian decision trees and bayesian regression trees in Python and/or R.. Do you know if the existing libraries support this

23 February 2021 6,689 3 View

Are there packages (R or Python) for simple models (bucket?) to assess soil water content?

Hi everyone. I am researching droguht effects on soil water drought. I am looking for already implemented functions in R or Python to estimate soil water content from precipitation,...

21 February 2021 2,084 1 View

How can I retrieve FASTA sequence from gene ID or UID of a Gene ? I have GeneBank IDs ?

I treid to use Entrez Batch, but it redirects me to NCBI site. Is there any script of Linux or Python through which I can download Fasta sequence of list of gene ID ?

21 February 2021 7,783 12 View