How to calculate Ligand-active site distance in a ligand-protein complex from MD simulation?

I have run a MD simulation of a ligand-protein complex in GROMACS using CHARMM forcefield. Reviewer has asked me to calculate Ligand-activesite distance and binding free energy of ligand with...

27 February 2021 4,703 1 View

Is IMPACT FACTOR justified in case of Taxonomy?

There is huge pressure of getting good impact factor on scholars now a days. On the other hand Taxonomy is a very dry subject and the concerned papers can only get citation in same group of organism.

26 February 2021 5,851 1 View

Why tick's salivary gland extract didn't run in the gel (SDS PAGE )??

Greetings, I want to make SDS PAGE for my sample (Tick salivery gland extract), I tried concentrations 10%, 12%. I also tried high molecular weight ladder. But the protein stopped at the top and...

25 February 2021 7,698 3 View

Is it possible to set a breakpoint at a specific DYNAMIC instruction using the GNU Debugger (GDB)?

Using GDB, it is straightforward to debug and monitor a target program by setting a break-point at a specific instruction, since the instruction addresses are known. However, we have two...

24 February 2021 1,598 2 View

How to indicate the degree of litter decomposed by microbes?

Any technique could detect the degree of litter decomposed by microbes? Or any indexes could do this job? I want to split the contribution of microbes during decomposition, so any suggestions...

23 February 2021 1,362 5 View

How to Implement Elastoplasticity in a PCL model in COMSOL Multiphysics?

I am using COMSOL Multiphysics 5.5. I am trying to simulate the tensile test of PCL scaffolds. However, regardless of the strain, I have the elastic region all the time which is not true when it...

23 February 2021 4,050 1 View

How to measure the pH of Peat Soil?

Peat possess organic content above 75% and is highly acidic in nature (i.e. pH < 4). Before commencing stabilization, it is mandatory to know about the pH level of peat. Therefore, your...

18 February 2021 9,424 7 View

How to Measure Consumer Willingness To Change from petroleum-fueled vehicle to electric vehicle?

I wanted to calculate the probability of one consumer shifting from using a petroleum-fueled vehicle to an electric vehicle. Since my background is in engineering I do not know much about how to...

15 February 2021 9,190 5 View

How to improve the adhesion of epoxy coating on steel substrate? Which factor affects?

I am facing a problem regarding a de-adhesion problem with the coating. A brief description of my methodology is given below. I am using mild or Low Carbon steel as a substrate and I polish the...

14 February 2021 2,167 4 View

Would bisulfide sequencing result be affected if the tissue is fixed by perfusion?

I am looking into DNA methylation of mice as an aging marker along with other assays and recently I added brain IF to the list of assays. For this, I need to fix the brain by transcardial...

09 February 2021 9,012 3 View

Why Austenite grains in steel show much more twinning than ferrite grains?

It is oftentimes said to be a distinctive metallographic trait that differentiates a fully austenitic and a fully felly ferritic steel without etching that might distinguish between two. Why...

02 March 2021 728 2 View

How to define and get results (stresses) for certain points of a model in abaqus, using python? When the size of the model changes?

I want to do a parameter study of a aixsymmetric cylinder in Abaqus. I want to create several jobs where I get the stresses for 3 different points in my model. These points are defined. I wrote a...

01 March 2021 10,078 1 View

LOAD DISPLACEMENT CURVES Stiffness increasing in ANSYS non linear analysis. HOW CAN I CORRECT IT?

Hi. I am doing non linear FE analysis using a new material beam under flexural 2 point loading using ANSYS. I have defined a bilinear material model. The solution has converged. In results I am...

01 March 2021 9,911 3 View

What could be the reason for not having further low chi square value (better agreement) in my refinement result?

I have tried every combination of parameter changes and after that i have a poor chi square value. I can't get it lower any further. I know there have been a lot of discussion about Rietveld...

26 February 2021 8,480 3 View

How relevant is Mini slump cone?

for all the rheology researchers, my question is, how relevant is a mini slump cone (smaller than a standard 50 cent rheometer). currently based on testing, the thickness of slumped material is...

26 February 2021 3,668 1 View

Stress/strain tensors decomposition ???

25 February 2021 6,760 1 View

How to replicate the well conditions of a crystal hit with 20%(w/v) isopropanol?

I had a crystal hit in a well with 0.1M HEPEs pH 7.5, 10%(w/v) PEG 4000, and 20%(w/v) isopropanol. Why is isopropanol in w/v here if it's just solvent? How do I recreate this well condition?

25 February 2021 9,761 1 View

How to reduce residual stresses in MD simulation?

I am working on a preparation of representative polymeric structures of some popular polymers, such as polyimide or PTFE for MD simulation, during which a single nitrogen or oxygen atom will be...

24 February 2021 8,105 3 View

Suggestions for occupational stress surveys?

I am currently writing a masters thesis on reasons for occupational stress in the early childhood classroom, and want to include a short survey assessing participants work-related stress levels. I...

24 February 2021 8,678 2 View

The most suitable method to calculate the stress intensity factor in the presence of contact between the crack lips?

I'm trying to study cracked structures under a compressive load taking into account contact between the crack lips. I would like to know if the method of extrapolation by displacement remains...

21 February 2021 8,694 4 View