Can someone tell me , which vector and strain is best to express Thermomyces lanuginosus lipase in E. coli system?

Actually , i want to express Thermomyces lanuginosus lipase (TLL) in E coli system. so please help me and if somebody have protocol/procedure plz share with me. Thanks in advance!

04 May 2019 9,547 3 View

How can i place a protein in the center of prepared box with different solvents ?

ACtually ,i want to simulate a protein with different types of solvent present like Glycerol+urea+chloride. I created a box with these mix solvents. Now , i am facing the problem is that : how...

31 December 2018 2,682 6 View

How can i calculate number of chloroform molecules in 50% v/v conc. ?

Actually, i want to check effect of chloroform on my enzyme,so i am going for MD simulation with chloroform.But problem is that, i dont know how to calculate number of molecules in 50% v/v conc....

10 November 2017 3,564 5 View

How can i install all packages of Amber 14 (MD simulation) ??

actually ,i want to learn MD simulation on Amber 14 .but i cannot understand ,how to install tLeap etc.and i am confused .so can anybody tell me....easy way to learn that software and please...

08 September 2017 9,465 2 View

Can i use Rosetta Design for mutants design of enzyme ??

actually ,I am working on enzyme design by computational methods ,and i want improve enzyme activity and stability ,so can i used some other tools ?? thanks !!

01 February 2017 4,351 4 View

How to make topology file for metalloenzymes (Vanadium dependent chloroperoxidase).I tried by Prodrug server but it fail ?

Prodrug result : PRODRG> Starting up PRODRG version AA100323.0717 PRODRG> Parameter set 'pd/gromos96' (fftype=2). PRODRG> MOL mode detected. PRODRG> Found unsupported atom V in...

10 November 2016 3,089 3 View

Which software is most significant for the protein modeling ??

?

31 December 2015 9,759 0 View

Is there any online server available for virtual screening of inhibitors against an enzyme ??

and how to validation by insilico methods??

01 January 1970 2,398 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

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 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

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 is your perception on using visual analysis or quantitative approaches to evaluate data from single-case research designs (n of 1 trials)?

Results of single-case research designs (i.e., n-of-1 trials) are often evaluated by visually inspecting the time-series graph and computing quantitative indices. A question our research team is...

03 March 2021 687 1 View