In a discrete event simulation model, I try to apply the heterogeneities caused by the characteristics of simulated individuals in the transition probabilities between states. Please help
The best method to evaluate the potential of siderophore production in rhizobacteria under in vitro conditions? Qualitative, semi-quantitative, and quantitative evaluation...
10 May 2023 7,056 2 View
Dear Lammps/MD experts, I am going to model an epoxy resine structure with Lammps. The initial structure of epoxy resin (Epon resin 862) is available online in for example in CDXML format (as...
09 November 2020 1,328 3 View
Dear ceramics experts, I need to verify my MD simulation results with experiment. I have modeled compression behavior of TiO2-anatase nanoparticle (30/40 nm) under different crystallographic...
09 November 2020 6,573 4 View
How can I specify label of new data according to the weather.nominal.arff data in WEKA? I open the weather.nominal.arff data and classify it with J48, but I don't know how can I specify label of...
18 May 2020 3,262 8 View
Do you think that chronic administration of SSRIs mostly and MAOIs can increase the chance of inducing serotonin syndrome, and actually exacerbate certain positive symptoms (i.e. hallucinations...
09 May 2019 6,255 9 View
How are the adverse effects of specific classes of antidepressants (SSRIs in particular) comparable with the effects of certain dopamine agonists (e.g. amantadine) that are disputatiously believed...
09 May 2019 216 5 View
Dear QM experts, I am going to perform a simple QM calculation from my resulted MD structures in order to analysis their photoelectric properties. But unfortunately I am new in the area and I...
06 December 2018 3,983 4 View
Have any negative effects or any defects been reported for bio-fertilizers? If you have an article, introduce it
19 October 2018 2,588 20 View
Is it possible that a microbe (such as a bacterium) stimulates plant growth, but in proteomics studies it turns out that this bacterium produces an abnormal protein in the plant? For example,...
23 September 2018 1,849 3 View
Is there a correlation between the dissolution of phosphorus from insoluble compounds such as TCP and the release of potassium from minerals such as mica?
02 September 2018 2,918 5 View
Hi all, my experimental XPS results shown that my C3N5 sample consists of N-H bond, hence in this case I should incorporate the N-H bond into my DFT modelling. However, I do notice several papers...
07 August 2024 8,414 2 View
Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...
03 August 2024 3,371 3 View
I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?
02 August 2024 3,143 4 View
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31 July 2024 1,671 3 View
Can we patent a process flow diagram developed using a process simulator but no actual cases is carried out? For example consider a process for certain product manufacture where a new process flow...
31 July 2024 781 1 View
Hello Everyone I have a question about structure for connectivity analysis on sources. My goal: preprocess and cut data into trials create headmodels, using template MRI file perform source...
30 July 2024 2,744 1 View
I would like to calculate the formation energy of P2-Na0.67Fe0.5Mn0.5O2 based on DFT, what should I do step by step. Any help would be appreciated. Thanks.
29 July 2024 8,248 2 View
Dear All Gromacs User I would like to restart MD without using checkpint .cpt files? I heard there is a way for acheiveing this. Any input and sugegstions are most welcome. Thanking You Budheswar
29 July 2024 3,084 8 View
If I want to calculate molecular dynamics (Gromacs), do I first need to optimize the geometry of the molecule? For example, I first draw the molecule in Avogadro, and then what? I guess I can't...
28 July 2024 673 3 View
Hello. I have the geometry of a blade in CAD file (stp) and I want to prepare the blade for meshing with turboGrid. I must import this file into designModeler and then transfer to the...
27 July 2024 356 3 View