Is there a way to calculate energies for all residues from a pdb?

CHARMM GUI online does a protein-protein interaction where you can measure the interaction energy of one chain with all the others. Is there a way to do this for each residue? Basically I want to...

29 July 2020 8,851 3 View

In an optical diffraction (single slit experiment) we found no photons in dark fringes that should interfere destructively, how this is possible?

we did a very simple experiment of optical diffraction (single slit experiment) with a laser diode and observed dark-bright fringes on the plane of diffraction experiment (details of experiment...

13 March 2020 3,198 3 View

Which book is better to study the mechanical engineering design course?

Which book is better to study the mechanical engineering design course? What is your suggestion about a reference to teach the students?

12 March 2020 5,889 9 View

What kind of ceramic and metal are proper to make a FGM?

As you know, FGMs usually include metal and ceramic. Also, These materials have been used in high temperature environments. Based on the references, there are few temperature dependent materials...

23 February 2020 6,807 4 View

Spatial Prediction of Categorical variables with ANN model in R environment?

I would like to predict soil classes with artificial neural network (ANN) in the R environment. I train my model with neuralnet package. When using the predict function, I will only get the...

15 February 2020 4,020 3 View

How can one learn about the effects of an organic substance on the human body?

For example, we synthesized organic matter called A, at this point we want to know its effects on the human body. I wanted to know if there was a special device for this or were they using other...

16 December 2019 2,223 3 View

if we could make artificial spin ices within superparamagnetic size range (10-30nm) how would phase transitions change? what's the effect of size?

the effect of geometrical frustration have long been studied in single domain ferromagnets known as Artificial Spin Ice typically around 200-800nm in size. but I can't find any studies that goes...

03 July 2019 9,417 17 View

How make an index for gmx gangle?

Hi, I want to calculate the 1- angle between slab surface plane and water molecule plane 2- angle between OH vector of water and slab plane. How should i define OH vector, HOH plane and surface...

12 September 2018 2,086 0 View

With due respect, kindly let me know how to publish an article, research paper or full dissertation free of cost and in very short period of time?

With due respect, kindly let me know how to publish an article, research paper or full dissertation free of cost and in very short period of time? Kindly guide in details. Regards

12 September 2018 4,277 4 View

Do you know a way for PEGylated for Fe nanoparticle (zero valent)?

for theraputic application we need to nanoparicle by high magnetic propertis ,Fe is a good section, but for Biocompatibility we need to coat... can you help me ? thanks

11 September 2018 341 3 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

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

Could you recommend any books about Number Theory?

Beginner level books. High level books. Analytical Number Theory. Algebraic Number Theory. Combinatorical Number Theory. Books about partitions. Books about primes.

03 March 2021 7,174 5 View

How to analyze a particular region of my simulation box in GROMACS?

Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...

03 March 2021 9,989 2 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

After a reference from Int J Body Compos Res, can any body help?

Hi, I am after the reference below, my library says it cannot obtain a copy either locally or internationally, any help appreciated! Chris Wang ZM, Heshka S, Wielopolski L, Pi-Sunyer FX, Pierson...

03 March 2021 6,193 1 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 is the production process of CaFe ferroalloys?

I looking for ferro calcium production process

03 March 2021 1,755 4 View