PME calculation on a GPU GROMACS?

Hi all I used the following script to run the simulation but for some reason, I was not able to assign GPU to do the PME calculation? How to do that? The size of the system is huge (600.000...

14 January 2021 7,441 1 View

Optimizing GPU performance on GROMACS ?

Hi My system I am trying to simulate has 600.000 atoms. I want to simulate for 1 us I am using a supercomputer to run the simulation with tesla K80 GPUs. I am using 1 node and a total of 28 core...

08 January 2021 4,666 1 View

Terminal 5' phosphate in DNA simulation using AMBER FF in Gromacs?

How to add a new termini database entries in amber FF for phosphorylated at 5'- and 3'-termini of DNA? Pdb2gmx is not able to covert pdb to gro files could you please help me?

22 September 2020 8,356 7 View

Adding chromophore to PEGylation reagent?

PEG does not have chromophore do you know how to add a chromphore to make it detectable by UV detector? what is the chemistry behind that can anyone help me with that thank you

10 November 2018 4,595 1 View

Solubility of PEG epoxide?

hello Is polyethlene glycol ( 5000 D) soluble in aceton and ethanol?

10 November 2018 9,451 1 View

Effect of Gelatin on Mice?

could you please provide me with some articles that done experiments on mice by using plain Gelatin? I want to study the effect of plain gelatin on mice

09 October 2018 9,349 0 View

MTT incubation time?

Hello The standard time in our lab is 4 hrs for MCF-7 but the goal of my experiment is to study the effect of assay? The standard time in our lab is 4 hrs for MCF-7 but the goal of my...

03 April 2018 3,694 4 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

Buffer to disrupt platelet alpha granules for PF4 quantification?

Hello! I want to quantify by ELISA the secreted (from platelets poor plasma) and the non-secreted (from platelet lysate) PF4 before and after TRAP stimulation. I will use the ELISA from R&D...

03 March 2021 1,499 2 View

Does Napabucasin soluble in dichloromethane and in ethanol?

I need to prepare a solution of Napabucasin (inhibitor of cancer cell stemness) in dichloromethane. The drug is expensive, so maybe somebody already tried to do it. If it is soluble, what is the...

02 March 2021 9,945 3 View

What is the state of the drug inside solid lipid nanoparticles (SLNs)?

I am a little confuse with the mechanism of solid lipid nanoparticles (SLNs). The main point of encapsulating drugs into SLNs is because some drugs have low solubility in water. Therefore, SLNs...

01 March 2021 3,703 3 View

Dapi fluorescence protocol for colon cell lines ?

28 February 2021 2,534 2 View

Why am i not getting solid after reacting APTES with salicylaldehyde?

The reaction of APTES with salicylaldehyde in ethanol leads to the formation of imine compound yellow solid which is mention in literature, but I am not getting yellow solid I don't know why? when...

28 February 2021 2,955 2 View

Do you kow of any database containing data on retention time, log P and polarizability for a large number of molecules?

Hi, I am a chemistry undergraduate doing my dissertation project on HPLC. In my project, I need to predict the HPLC retention time of 20 aromatic molecules, the calibration set. To do this I will...

24 February 2021 2,602 1 View

How to best wash a 96-well plate containing microplastic?

I am planning my protocol for my dissertation for an experiment quantifying bacterial (E. coli) biofilm formation on micro-plastic (5mm discs of polyethylene bags) by conducting a crystal violet...

23 February 2021 7,868 2 View

Can I use acetic acid with an ELITE WAX Perkin Elmer column for Gas Chromatography?

Hi! I would want to know if I can use acetic acid with an ELITE WAX Perkin Elmer column for Gas Chromatography. This column has a polyethylene glycol phase, but I can't find the manual to check...

22 February 2021 730 2 View

Are there any known solvothermal methods to synthesize MoS2 nanosheets using solvents other than water (like ethanol/ethanol-water mixture) ?

I need to synthesize MoS2 nanosheets by alternate methods without pure water as a solvent.

22 February 2021 9,246 1 View