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

Does the pressure(-600 mmHg) affects pH?

When I conducted the degassing experiment using decompression under anaerobic condition(and I used ferrous based chelating agent), the oxidized ferric were observerd. So, could you tell me the...

03 March 2021 4,892 5 View

After a reference from Int J Body Compos Res, can any body help?

Hi, I am after the reference below, my library says it cannot obtain a copy either locally or internationally, any help appreciated! Chris Wang ZM, Heshka S, Wielopolski L, Pi-Sunyer FX, Pierson...

03 March 2021 6,193 1 View

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

Analysis of CRD two factor using R studio ?

Hello everyone. I have conducted the research on post harvest longevity of tomato crop using plastic packaging and different doses of chemicals as two different factors. The design of experiment I...

28 February 2021 8,189 3 View

What is the exact mechanism of the antimicrobial effect of local anesthetics?

The antimicrobial effect of local anesthetics has been known for more than 50 years, but it still seems to have an unclear mechanism of action. which bacteria? which concentration? etc etc. ....

27 February 2021 4,450 2 View

How can I selectively dry etch Ti on a polymer substrate?

24 February 2021 5,378 1 View

Resistivity of PVD TiNx thin films vs. N2 flow?

In the PVD of TiN thin films (~100A), I've found the resistivity of the TiN films dropped from ~100 to 60um*cm with N2 flow increasing up to the metallic mode ending point; then the resistivity...

21 February 2021 1,864 2 View

What are your alternative data collection methods during the pandemic? What are the pros and cons?

Dear colleagues We are exploring possible data collection methods for environment and behavior research in the context of architectural environments. Have you conducted any Post Occupancy...

16 February 2021 2,575 4 View

Can bio-decomposer be a successful alternative to reduce residue burning?

To maintain the proper crop plan most of the times there is not enough time to make the field ready for the next crop. In this particular context , can bio-decompser be a solution? What about...

16 February 2021 7,068 24 View

Access to supercomputer resources in India?

Hello everyone, I want to perform some gaussian calculations and want to use Materials studio for my research work. Can anyone guide me how to get access to supercomputer resources in India for...

15 February 2021 8,264 3 View

Do anyone have come across write up on "Technology on De-biasing" ?

De-biasing is a term applied in psychology, behavior, and management decision process. Now it has some connection with technology. Technology is used for leveraging on the reduction of impacts of...

21 January 2021 4,572 2 View

What is the basis set to optimize ZnO using GaussView for DFT calculation study?

Greetings, I have a bit of problem in setup the basis set of my DFT study for ZnO.. As you can see in the image attached below, I use B3LYP 6-31G (d,p) for geometrical opt. of ZnO.. But sadly, I...

13 January 2021 7,508 4 View

How to create a scaffold by using the particle leaching process?

In the leaching process,Why does NaCl settle despite sieving? How can we understand how much solvent the system needs? And, how can enhance the mechanical strength in this process and find the...

12 January 2021 5,679 2 View

How to optimise or tune the hyperparameters of Gaussian Process Regression?

I am working with the algorithm Gaussian Process Regression. I used gaussian process regression module from scikit learn library of python. But I couldn't correlate the hyperparameters of Gaussian...

24 December 2020 4,864 4 View

How much time can we conserve enzymatic extract?

Hi every one, I am extracting enzymatic extract from plant (50 mM Sodium phosphate buffer (pH 7.8), 0.1 mM EDTA, 0.1 % (v/v) Triton; 1 mM PMSF). I mesure the protein content and enzymatic...

10 December 2020 7,759 2 View

How can I use the selection matrix in Pymol to select atoms by their number within a cofactor?

I work with photochemical reaction centers (like Photosystems I & II) and it can be helpful to use PyMol to create useful pictures of them. With these proteins, the chlorophylls do all the...

04 December 2020 4,778 2 View

Kinetic modelling of oxidative dehydrogenation of ethane ?

According to below articles about kinetic modelling of ODH reactions by G. Che-Galicia and et al. there are some problems need your guidance and advices: Kinetic and reactor performance of a...

27 November 2020 9,035 3 View

Neyman - Scott Cluster Process: are these nonsensical parameter values ?

I am trying to fit a cluster model in spatstat in R using the locations of archaeological sites. The resulting parameters values are: trend: 2.514429e-06 kappa: 1.606992e-08 scale: 481.5851 mu:...

18 November 2020 2,993 3 View

Anyone familiar with antioxidant studies on rats' brain homogenate?

I am looking for a skilled personnel in Kuwait University that is familiar with antioxidant studies using ELISA kit or other techniques on rat's brain homogenate, particularly the hippocampal and...

04 November 2020 5,481 1 View