How to dock and simulate multiple protein ligands on single RNA binding site simultaneously?

I have approx. 150 protein ligands and want to dock all 150 protein ligand on single RNA at a time. Is there any tool available for this particular purpose.

01 February 2019 4,450 2 View

How to prepare protein-ligand complex pdb for generating 2-D figure in LigPlot?

I have a pdb file of docked complex of protein and ligand from patchdock, but there is an error occurring when I am importing it to LigPlot.

01 February 2019 2,724 10 View

How to implement neomodal driver of python to implement neo4j database in my local website?

I need to integrate an existing neo4j-database into my django project using your package. Is there any best practice or things I need to consider to do this?

10 November 2018 9,306 0 View

What are the way to retrive data from different columns of existing tables in database by selecting checkbox through php?

I have a multiple checkbox (about 40) in search form of my website. This checkbox contain names of tables stored in database. I am unable to fetch data from columns of the tables in database by...

07 August 2018 4,176 1 View

How to implement graph network built on neo4j browser into our locally built website?

I built a network graph between RBP and non coding element on the basis of positive and negative value of correlation which is statistical parameter on neo4j browser. I just want to impliment this...

07 August 2018 4,494 2 View

How to retrive multiple data stored in database using checkbox through php?

I made a website where in my search page. I gave checkbox option to retrive data which are stored in our database. when I click on multiple checkbox, I am unable to find the result. what can I do,...

07 August 2018 4,769 3 View

Anyone please tell me how to built RBP-miRNA interaction regulome model?

Q-How can we construct RBP-miRNA interaction base gene expression regulatory network from CLIP-seq ,RNA-seq and miRNA seq data?

05 June 2018 4,902 4 View

How to write cypher query for neo4j graph database of my sample data file containing 7 different column ?

I have a sample data file which contain following data: hsa-miR-101-3p hsa-mir-101-2 AGO1 AGO2 NA NA NA hsa-miR-101-3p hsa-mir-101-2 AGO1 AGO3 NA NA NA hsa-miR-101-3p hsa-mir-101-2 AGO1 AGO4 NA...

05 June 2018 8,929 1 View

How do I run a Python script on my web server?

06 July 2017 7,836 1 View

What is the reson for descripancy found in evaluatric parameter for built model?

02 March 2017 9,083 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

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 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