Is there any database or website from where I can get a list of FDA approved drugs for treatment of certain urinary tract infection?

I want to know all prescription drugs which are FDA approved compounds for infection like Urinary Tract Infections along with their causative agents. Can you guide me about any resource, database...

17 December 2020 4,852 3 View

Problem downloading Sentinel-2 Offline data ?

I am trying to download Sentinel-2 data of year 2018 over Hong Kong and the Pearl River Estuary. But as 2018 data is offline I am neither able to download it using python batch processing script...

05 April 2020 7,852 6 View

How to calculate multiplicity of infection(MOI)?

04 March 2020 4,208 3 View

Can anyone help me for the extraction of DNA from human saliva?

I have performed this experiment several times but failed.The main problem is that its UV spectra has a lot of distortion and its peak is not on 260nm. The DNA which i extracted has 1.5...

03 August 2019 4,614 3 View

How to convert analog signal to digital data using python?

How to convert analog signal to digital data using python code?

26 May 2019 1,498 3 View

How to convert 2D images to 3D?

How to convert 2D images to 3D using python for medical images?

20 May 2019 722 2 View

How to convert 2D images to 3D?

How to convert 2D images to 3D using python for medical images?

04 May 2019 755 2 View

Can we predict earthquakes using Deep Learning in a real time?

Can we predict earthquakes using Deep Learning in a real time? I use python but the analysis process takes long time.

04 May 2019 4,627 4 View

How can we stain liposomes with rhodamine for fluorescent microscopy?

I want to stain liposome with rhodamine. For this I need protocol.

20 April 2019 7,138 1 View

What should be the sonication time to disperse Magnetite nanoparticles for SEM?

I am using probe ultrasonicator to disperse MNPs in ethanol for SEM.

25 January 2019 2,091 8 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

How can I calculate the rdf of water molecules around 'Na' ions that are closest(adsorbed) to the nanoparticle(solute)?

Hi, I want to calculate the radial distribution function for water molecules around the Na+ ions adsorbed on the surface of a spherical nanoparticle using the gromacs trajectory dynamically? For...

28 February 2021 5,650 1 View

How can I assign a velocity along one direction to CO2 molecules in a molecular dynamics simulation using GROMACS?

Dear all, I am trying to perform a MD simulation about the interaction between CO2 and a polymer. I create my model, solvate it and perform the NVT and NPT equilibration. Now I am not able to...

26 February 2021 10,014 3 View

How does GROMACS calculate the average structure of proteins?

I want to get a average structure from a pdb file containing multiple models. I used the command below: gmx cluster -f input.pdb -s topol.tpr -cutoff 20 -method gromos -av GROMACS...

25 February 2021 6,314 1 View

How to identify or create correct list from GROMACS options during analysis of trajectory ?

During topology preparation using pdb2gmx Protein_chain_A and Protein_chain_B were identified. However, when production MD was completed and I proceeded to do analysis, I find this list : Group...

23 February 2021 5,065 8 View

How to construct different filler shape in MD simulations?

Is there any way to construct different initial filler shapes like triangle, square, rectangle, pillar, and tube in any simulation software.

20 February 2021 1,750 1 View

How to include additional force field in GROMACS?

I have a cellulose model system that is best described by the GLYCAM06 force field according to the literature. However, the set of force fields included in the GROMACS package doesn't include the...

20 February 2021 3,309 3 View

Problem in energy minimization using Gromacs?

I have done energy minimization of DNA using Gromacs with tutorial lysozyme in water. The potential energy curve show a steep drop.

18 February 2021 4,822 2 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

How to obtain parameters to run a simulation for benzene using CHARMM forcefield in GROMACS?

I have been reading this paper Soft Matter, 2017, 13, 1904 and in this paper, they simulate benzene in GROMACS using CHARMM. They mention that they performed simulations of benzene using the...

15 February 2021 5,561 3 View