Can anybody suggest a free web-based induced-fit docking tool?

I am looking for a free web based docking tool that takes into account backbone protein flexibility via induced-fit upon ligand docking?

01 February 2019 7,439 8 View

How to save/export a 3D SDF file using Open Babel?

I want to convert a SMILES code into a 3D SDF and PDB files to use for docking.I am using the following module: http://www.cheminfo.org/Chemistry/Cheminformatics/FormatConverter/index.html The...

01 February 2019 7,418 5 View

What are the kcat values of yeast hexokinase (Saccharomyces cerevisiae) for both glucose and ATP?

I am looking for kcat values (glucose and ATP) of hexokinase enzyme from common bakers yeast under physiological conditions (~pH 8, ~ 25 Deg C) along with reference preferably using...

06 July 2018 8,262 4 View

What are dimensions of ortho-silicic acid?

I need the exact diameter of ortho silicic acid, Si(OH)4. Kindly provide reference if possible. Thanking in advance for help.

04 May 2018 3,480 5 View

Is there any biological role (significance) of FRET from Trp residues to heme in peroxidases such as in Horseradish peroxidase?

Although HRP lives under darkness most of its natural life, what possible biological role Energy transfer from Trp to heme can have? Can it possibly effect Fe reactivity in Compound I or II if...

05 June 2015 4,665 3 View

Is there a bioinformatic tool to determine hydrphobic core amino acids by inputing a PDB file?

I want to determine which amino acids in a Protein structure are involved in Hydrophobic core. Is there a simple tool which requires a PDB file as input?

09 October 2014 1,098 5 View

What to do if you realize after submission to an open-access journal that it has bad reputation?

07 August 2014 9,881 2 View

What is the recipe for complete protein hydrolysis using nitric acid?

I want to completely hydrolyze a peroxidase enzyme with NITRIC ACID to determine Calcium content by ICP. Can anybody tell me a tried and tested simple recipe for complete protein hydrolysis...

07 August 2013 7,619 5 View

What is a positive peak at 305 nm in a purified protein using Near-UV CD show?

The protein has 3 Tyr and 3 Phe and 0 Trp residues. It show a sharp peak at 365 nm corresponding to Phe and 3 peaks between 272 and 285 nm corresponding to Tyr but I am wondering what a positive...

04 May 2013 5,905 3 View

Trp to heme energy transfer.

Is it possible that unfolding of a heme protein followed by trp fluorescence show decrease in intensity at 336 nm with increasing temperature. Normally, in heme proteins, emission intensity...

02 March 2013 805 0 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

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

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