How can I model a model containing a molecule with a silver atom for molecular docking, and how can I know the position of the silver atom during model creation?
Can you help me? I'm doing my first research and I can't find papers about this object.
23 May 2024 1,410 5 View
The authors discovered that there is a 5% error for hydrogen and a 7% error for carbon monoxide when comparing simulation results to experimental findings. Is numerical method did they use to get...
08 October 2023 2,008 0 View
Hello ResearchGate community, In my Aspen Plus model for methanol synthesis via gasification, I have been able to achieve satisfactory methanol production compared to literature data, even though...
08 October 2023 9,697 0 View
I would be interested to know if you have any thoughts on how this limitation could be addressed, since usually the S/B ratio affects the Hydrogen concentration positively.
14 February 2023 6,843 1 View
Hello, I am currently docking selenium nanoparticles with a protein but I am facing an error. Who can help me find a solution? Thank you.
02 February 2023 7,386 0 View
I have found limited literature listing concentrations of serum AGE levels (ng/ml). Several studies have reported results in AU (absorption units) which cannot be compared between different...
19 December 2022 9,275 1 View
If we could find a mathematical model for each optimization problem, could mathematical programming replace meta-heuristic algorithms?
03 June 2021 1,485 11 View
Everyone knows that optimization problems can be solved by mathematical programming techniques, whether they are (linear - non-linear - mixture - ...) and also can be solved by heuristic...
02 June 2021 2,429 45 View
I have an organic shell and I need to calculate the surface area (cm2)?
26 May 2021 3,571 4 View
Dear researchers While doing impact analysis, some shell elements are not deleted using MAT_ADD_EROSION these elements reach very small time steps(1e-11 order) which in turn cause the analysis not...
29 December 2020 1,766 1 View
I am using Rhodamine6G as gain medium and silver nanoparticles as scatterers on a microscope slide and laser input 532 nm comes from above.
09 August 2024 9,894 2 View
If we map as a continuous motion an ionising electron (beginning its journey at n=1) in an H atom, a specific hyperbolic spiral appears (see animation). When we solve this spiral formula, we find...
07 August 2024 5,343 2 View
I have face this problem anyone help me how to solve this issue ?which is below Fatal error: There are inconsistent shifts over periodic boundaries in a molecule type consisting of 78 atoms. The...
07 August 2024 2,598 1 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
If from a geometric perspective the non-halogens, non-noble gases have more empty spots in their valence shell, and the filling/exiting of any of the empty spots in the shell constitutes a...
03 August 2024 4,787 2 View
If you think of electrons with spin as bar magnets, you know bar magnets of opposite polarity as long as they're not occupying the same spatial location don't cancel out each other's magnetic...
03 August 2024 3,927 2 View
Hello,, The metal complex ligand appears incomplete in the screen of the discovery studio visualizer
30 July 2024 3,354 1 View
i m interested in pca analysis of c-alpha atoms in gromacs for that i used the following gmx_mpi covar -s mdca.tpr -f mdca.xtc -o eigenvalca.xvg -v eigenvecca.trr -av average.pdb -n index.ndx but...
30 July 2024 1,607 1 View
Here, I have used Ag/AgCl as reference electrode and 0.5M KOH.
29 July 2024 4,538 3 View
The literature on Supply Chain Integration (SCI), Supply Chain Management (SCM), and collaborations, spanning several decades, deserves special attention. This topic, although addressed for a long...
23 July 2024 5,672 3 View