MInimisation before docking?

I am trying to do both docking and molecular dynamics simulation. Should I minimise the protein structure after adding amino acids far from active site before docking? I have taken a PDB structure...

02 November 2020 4,798 4 View

Can we disperse Graphene in HCl using sonication?

I am not sure if graphene could be dispersed in Hydrochloric acid solution by Sonication process. If anyone could share more idea on this, it would be great for me.

30 May 2019 3,712 3 View

Does anyone have reference papers for microhardness behaviour of AISI 316 L SS on HAp powder mixed EDM?

Reference papers on 1. Micro hardness behavior of AISI 316 L SS 2. Surface Topography 3. Hap Powder mixed EDM

04 January 2019 1,975 3 View

Which software is best equipped for Energy market simulator modeling?

Basically, Power World Simulator has been pretty popular for Energy Market Simulator Modeling (Educational Purpose) due to the incremental cost parameters in generator module and many more...

16 August 2018 2,646 4 View

SENP1 treatment of CoImmunoprecipiteted proteins?

Dear Researcher, I am trying to imminoprecipitate (IP) Sumoylated protein. i am succesfully able to get it. now i have to carry out desumoylation of that immunoprecipiteted proteins in vitro. I...

27 February 2017 6,419 3 View

May I know somebody interested to collaborate in academic work about 'Adolescent SRH in Nepal (a quantitative study'?

27 January 2017 413 4 View

No title

10 January 2017 3,671 1 View

Is it possible to feed the data output from MATLAB model or script files to ETAP simulation?

11 July 2016 9,674 3 View

Does the space of Raviart-Thomas finite elements contain the space of piecewise constant functions in triangular mesh?

Is the piecewise finite element space subset of RT space?

17 November 2015 9,173 3 View

Can anyone suggest a simple calculation procedure to prepare any solution in terms of ppm ?

I am very confident and experienced enough in preparing the solutions up to ppm level when it is a SOLID, but I am confused in the case of LIQUIDS, say for example Hexadecane (hydrocarbon) has...

16 February 2015 9,202 18 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

Resistor definition in Piezoelectric bimorph with ANSYS workbench

Hello, good day! I am trying to simulate similar bimorph piezoelectric harvester with below commands. However, the output power doesn't change with resistor value. Please help to find the reason. ET,10,CIRCU94,0 !SET UP RESISTOR R,1,100000 !RESISTANCE VALUE TYPE,10 !SET ELEMENT TYPE E,1,2 !CREATE RESISTOR BETWEEN NODES 1 AND 2 Thanks in advance Regards,

02 March 2021 0 0 View

The procedure compute?

02 March 2021 5,204 3 View

How to calculate BREQ 3 questionnaire?

how to calculate BEHAVIOURAL REGULATION IN EXERCISE QUESTIONNAIRE BREQ 3 ,which contain 24 questions and each question has 5 answers (0- Strongly disagree , 1-disagree, 2- Neither agree nor...

02 March 2021 811 3 View

Is there a powerful system for the security of the systems distributed on IoT systems?

Is there a powerful system for the security of the systems distributed on IoT systems?

02 March 2021 3,858 10 View

I am interested in medicinal chemistry field, which books are highly recommended to learn from?

I am at the beginner level in drug design and drug discovery, and I am interested to learn more about this field. Which books are highly recommended to start from and gives me all essential...

02 March 2021 8,437 2 View

Please suggest a good text book for "Research Methodology in Life Sciences". Which book would be good for PhD Scholars?

Please provide Book Title and author name

02 March 2021 9,059 3 View