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

Recalcitrant seed short-mid storage method?

Dear peer scientists, Ultradry storage is not suitable for recalcitrant seeds. However, theoretically, if we can stabilize the structure of the subcellular membrane, as well as glassify the...

25 February 2021 2,442 1 View

Can a Golgi-stained dendritic spines picture processed by Image J be directly used for publication?

24 February 2021 3,348 2 View

Implementation of chance-constrained optimization problem via scenario approach?

23 February 2021 7,826 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

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23 February 2021 4,014 3 View

Build an orthogonal box in ASE?

Hello, I was wondering the best way to build an orthogonal box filled with a defined crystal structure in ASE. I know it could be easily done in LAMMPS, but I guess it is also doable in ASE. The...

21 February 2021 5,899 4 View

Does anyone have a working Guanidine Hydrochloride purification protocol for synthesized ssRNA?

I am trying to in vitro transcribe some fluorescein labeled ssRNA. And I want to purify the ssRNA from the free NTPs and the enzymes (RNA polymerase and DNase I). Due to the characteristic of the...

18 February 2021 4,392 4 View

How to find a particular aptamer complementary sequence?

I can find several papers that give me a guide for choosing a suitable aptamer sequence 1. But how to find a property aptamer sequence 2(partially complementary to sequence 1)?

09 February 2021 3,511 1 View

What are the countries most affected by extreme rainfall as a result of climate change?

Increased heat, drought and insect outbreaks, all associated to climate change, have increased wildfires. Decreasing water supplies, declined agricultural yields, health impacts in cities owing to...

01 March 2021 7,168 9 View

What is recommended for solid domain in ANSYS FLUENT?

Should I mesh the solid domain ? or should I use wall thickness? or Shell conduction? for Heat Transfer between two fluids of a Heat Exchanger. what is recommended?

01 March 2021 9,785 3 View

Heat exchanger with liquid Nitrogen as coolant?

I want to cool Natural Gas from 195 Kelvin to 138 Klevin in a heat exchanger by using liquid nitrogen as the coolant medium. When entering the heat exchanger, the liquid nitrogen will have a...

01 March 2021 6,450 5 View

How can i resolve the "final solutuin is not converged" error in Comsol for my heat transfer simulation??

I have been trying to simulate heat transfer problem in Comsol 5.5 for long time but it always throw an error stating: "Failed to find a solution. Maximum number of Newton iterations...

28 February 2021 8,626 3 View

PUC19 as a transfer plasmid for lentiviral delivery?

Hello, Is it possible to use pUC19 as a transfer vector to be packed in using the second generation viral particles packaging system( pMD2.G; psPAX2 plasmids)? As far as I understand it there is...

28 February 2021 4,868 2 View

Exit velocity of natural gas from pressurized tank?

Hi Guys. I'm a mechanical engineer and have a bit trouble, would be very glad if you could help me with my questions. I have a pressurized tank which contains Natural Gas at 200 Bar and 293...

26 February 2021 6,253 3 View

Anyone that can help with Maxquant TMT16plex which is missing?

Hi I am very new to proteomics analysis. I have got raw files from core facility running thermofisher TMT 16plex 4 hours. I cannot find on maxquant the option TMT16Plex there is only up to 11...

25 February 2021 1,675 3 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

How to properly calculate the fluid solid heat transfer between polypropylene matrix and glass fiber in a porous medium?

I'm building a cfx model of thermoplastic pultrusion process on ansys and i have a doubt on how is the proper way to set this parameter in a porous medium

24 February 2021 1,915 1 View

How to properly calculate Interfacial area density in a porous domain?which are possible value for glass fiber?

I'm doing a cfx simulation of a multiphase flow in pultrusion and i set the Interfacial Area density in the heat exchange of a porous medium in this way IAD=Total fiber lateral surface of fiber...

23 February 2021 6,043 1 View