How to perform Molecular Dynamics of peptide+small molecule systems?

I have a system in which a ligand is attached with the small peptide of the length of 8 Amino Acids. I want to perform Molecular Dynamics of this system. What procedure and software should I use...

05 June 2014 1,918 10 View

How can I interpret spectral clustering?

How can we understand spectral clustering algorithm in a more generalized way? The research papers mention it in more mathematical form. What could be a layman's approach to understand it by...

03 April 2014 1,789 2 View

How do you select best protein-protein complex?

The servers available for the protein-protein docking generate a thousand of the structures where they talk about the probability of finding structures in those 1000 structures. Is there any way I...

02 March 2014 2,712 8 View

Which clustering method is suited for symmetrical distance matrices?

Where matrix entries are rmsd of the different proteins. The matrix nXn where n is the number of proteins in the system.

02 March 2014 4,113 11 View

How can you reduce noise in K-mean clustering?

In K-mean clustering, every data point is being clustered. The data points which are supposed to be treated as noise are also considered in clusters. Is there any possible way to reduce such noise...

02 March 2014 7,526 7 View

How do you combine two .pdb protein structure files?

I have two *.pdb files of proteins. How can I connect them to form one? The two .pdbs are of the same protein solved by different groups. And what is the best way to find the two orientation of...

02 March 2014 7,319 21 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

Guidelines for survey (question type) analysis?

Hi. Please tell me what guidelines should i need to follow for questionaries' type research work in India. It is not hospital based work, we are conduction basic institutional based qualitative...

03 March 2021 2,037 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

What is the production process of CaFe ferroalloys?

I looking for ferro calcium production process

03 March 2021 1,755 4 View