During protein preparation in Maestro by Schrodinger the bond order needs to be corrected. I want to know what bond order means, its importance and why it needs to be corrected
I want to work towards decreasing side effects of a particular class of drugs. Can anyone guide me as to how this can be done.
09 October 2015 3,445 0 View
What is difference between HypoGen and HipHop which are modules for generation of Pharmacophore models? Which method should be used when. Advantages and disadvantages of each.
07 August 2015 8,734 0 View
what does a subgenomic replicon assay mean? I came across this term in various papers but could not understand it. Can someone please explain its meaning in simple language.
07 August 2015 1,554 0 View
I have come across the term truncated N terminal various times in several papers. I want to know the importance of truncation and what it means. Why truncation is used.
07 August 2015 7,402 1 View
What does root mean square deviation(RMSD) mean. How is it useful wehile developing pharmacophore models and QSAR models?
07 August 2015 7,758 0 View
There are various steps in protein preparation. One of them is refinement. Why is it required?
07 August 2015 9,614 0 View
With respect to interaction between a ligand and a protein what does a supramolecular interaction mean?
07 August 2015 3,992 0 View
In protein preparation why is restrained minimization in vacuum needed. What does convergence criteria for heavy atom RMSD mean. What is its importance. What happens if minimization is performed...
07 August 2015 525 0 View
what are tail anchored proteins
07 August 2015 1,347 0 View
In molecular docking we can perform Molecular dynamics. What are the potential uses and how to interpret results in Molecular dynamics.
07 August 2015 5,942 1 View
I'm working on selecting antibodies against a recombinant protein that has a His-tag. My idea is to first bind the recombinant protein to a HisTRAP column and then use this column for an affinity...
07 August 2024 505 3 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
The first pdf file I uploaded had an error. So I uploaded an updated, corrected pdf of that paper with a different pdf name. I dpon't want the old copy to be download or read.
07 August 2024 9,508 1 View
I'm trying to calculate the tolerance factors of the hydride perovskite and the value calculated by me and the reported values are contradictory. Need more clarity in using the correct ionic radii...
01 August 2024 2,614 1 View
Is it the "elution buffer" or the "dialysis buffer"? Note: I'll be using NanoDrop OneC
01 August 2024 967 3 View
How to change the displayed full article text to its corrected version? In the file on the page of the journal where I published the article, there was an error in the text, the table is...
30 July 2024 3,229 2 View
The entropy measured of molecular graphs plays a crucial rule. The network structures in some cases are very lengthy calculations to handle. Some author avoid to construct table where as most...
30 July 2024 3,126 0 View
I am writing to request a correction regarding the affiliation of one of my co-authors, Donald Ho. Currently, the author's profile incorrectly lists an affiliation with The Hong Kong Polytechnic...
28 July 2024 6,824 0 View
We assume that we can find a statistical matrix mechanics equivalent to Schrödinger's PDE in two consecutive steps: i-Transform the Schrödinger PDE describing the wave function Ψ into its square...
27 July 2024 3,959 4 View
I'm having problems with ion exchange chromatography. After applying my sample (a fluorescent protein), a preferential path inevitably forms. The matrix I use is DEAE-Sephacel. Could someone...
27 July 2024 6,605 0 View