How to get the complete non-bonded interactions using the software's in case of molecular docking of DNA with ligand/complex?

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Do anyone here can help us in the field of molecular docking?

We have synthesized various metal complexes with different environment around the metals. Now to see the application of synthesized complexes we need this study also. we are also interested in...

01 March 2021 1,899 2 View

Why does intensity drops as concentration increases?

Is there any reason for decrease in fluorescence emission intensity of HSA,BSA when increase the concentration ?

28 February 2021 3,653 4 View

Modeling viscosity using model of Chung?

Hello, As part of simulation of gases mixture and water, I need to calculate viscosity of the fluid components and I am using relationships proposed by Chung et al. (1988). The irony is while I...

25 February 2021 8,053 5 View

Can anyone suggest me the best way for Regression analysis of Accidents?

Dear Altruist, I want to make a regression analysis based on accident data. But I am not finding the necessary information about what type of regression is more applicable for analysis accident...

23 February 2021 9,956 3 View

RNA-seq DEGs downstream analysis and reporting in literature?

I used EdgeR to get the list of DEGs (differentially expressed genes) from my liver RNA-seq experiment. I have done the gene overrepresentation and GSEA based pathway analysis. I am currently...

23 February 2021 8,969 1 View

How can we study the adsorption efficiency of microgel at the oil-water interface?

I am studing the mircogel at oil-water interface. I want to know the adsorb amount of microgel at the oil water interface. How we can determine this amount?. I will highly appreciate your...

19 February 2021 2,787 1 View

Why at farmer level Cow/Buffalo are not done artificial insemination just after 2 month for yearly calving?

Physiologically in cow, oestrous heat again goes on the peak after 2 months but locally this is not observed and AI is after two months but done after at least 6 months.

17 February 2021 685 4 View

RDF calculation of water inside the Carbon nanotubes?

I am trying to calculate the rdf of water molecules present inside the Carbon nanotube. I tried to do the indexing first using gromacs tool gmx selection. But when it comes to calculating rdf, I...

17 February 2021 1,066 3 View

Is there any solar electric power plant having the concentrated photovoltaic modules?

The solar photovoltaic (PV) power plant uses commercial (non-concentrated) PV modules which are quite simple in design and reliable. They can work on fixed orientation and don't need the moving...

16 February 2021 3,796 9 View

I am looking for a microbend optical sensor design...can anyone please provide me some idea about it??

I am working on a landslide model...i need an optical sensor to determine the amount of pore pressure and other values..i am thinking of using a microbend sensor. Can anyone please provide me with...

11 February 2021 5,911 2 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

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

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

fatal error

16 June 2021 0 0 View

What kind of fluid could I use for a pitfall trap that also does not invalidate molecular testing?

Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...

03 March 2021 5,978 5 View

How to repeat an operation on an atom selection for multiple times in PyMol?

Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...

02 March 2021 4,569 4 View

Does anyone know HRM channel in a 2 plex QIAGEN Rotor- Gene Q qPCR can be used as a separate channel?

I am going to have 3 different probes in my qPCR work that I am going to do. But I realized that the machine we have in the lab is a Rotor-Gene Q 2plex HRM Platform, saying it has green, yellow,...

01 March 2021 8,544 1 View

In Molecular Dynamics Simulation, how do I make changes to the force field according to my protein?

Hi In Molecular Dynamics Simulation, how do I make changes to the force field according to my protein? I got this error in the add-ion stage: Fatal error "./ amber99sb-ildn-HHH.ff / force...

01 March 2021 8,747 4 View

Samaneh Barani Pour

Please use the energy NAMD tool of Visual Molecular Dynamics (VMD).

Simran Sharma

Samaneh Barani Pour Thanks for replying, I have used Discovery Studio 2021 Client to see the interaction but still not satisfied with the result. I want to know about the complete list of atoms in the the form of table that is interacting with DNA

Himanshu Tahiliani

You can use PLIP (https://plip-tool.biotec.tu-dresden.de/plip-web/plip/index) to get details regarding non-bonded interactions between two macro molecules. Alternatively you can use the native software tools to find out about such interactions.