Critical micelle concentration (CMC) for DOPE and DOPG?

I am working on membrane systems comprising of DOPE and DOPG in the ratio 3:1. It would be very helpful for me, if you have any information about the CMC for DOPE as well as the same for DOPG. Any...

07 August 2017 7,494 3 View

Is there a way to narrow down the docked conformation list before applying molecular dynamics?

I have docked ~100 molecules using Surflex-Dock as well as AutoDock and prepared two lists (one for each docking program) based on their scores and energies. I have narrowed the list by...

31 December 2015 8,757 10 View

Is multi core calculation/simulation possible in AutoDock (v4) module?

Autodock is widely accepted program to perform small molecule docking. Unfortunately, this program uses a single core, while other core of the machine remains idle. This way, we are not able to...

10 November 2015 8,357 4 View

How to find out free energy of protein-ligand system, using 'g_energy' module of gromacs ?

There is an option of using PLUMED along with MD simulation (via gromacs) to interpret the free energy of a given system. But, in case we want to directly access the free energy from energy output...

05 June 2015 4,143 2 View

Is there any server online to predict a mature sequence from a given protein sequence?

I have in hand, a protein sequence of Cystein protease of an organism (325 amino acid residues). From that sequence, I need only a mature sequence. I wanted to know, is there any online server to...

31 December 2013 7,175 5 View

Can a journal be banned if it doesn't review publications before publishing, but charges publication fees?

Most of the journals are excellent in content, but nowadays, some people have started a business to publish papers in their journal, without paying attention to the content after the author pays...

10 November 2013 9,764 8 View

Where can I get the list of the top 10 Biological Journals in terms of Impact Factor?

I need updated information, regarding the impact factors of Top Journals in market.

03 April 2013 5,996 3 View

Can anyone list the tools/tool for making PSSM matrix

I have to map the gene location to the location of motif using the Point-Specific Scoring matrix (PSSM).

03 April 2013 8,064 2 View

What would happen if polycomb group proteins (PcGs) were mutated?

We are familiar with the fact that polycomb response elements play a crucial role in helping the PcGs to silence a particular expression. This is saved in the memory of the cell, and carried out...

01 February 2013 6,213 0 View

Which are/is the best, freely available, user friendly Software for plotting a graph for systems biology simulation or any other simulation?

Plotting of graphs are the best means for the analysis of our results. But if they are plotted wrong, then surely we can conclude wrong results. Many of the biologists are not very familiar to...

11 December 2012 4,303 5 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