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 in a medium other than vacuum?
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
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
what does a vector attribute mean and its importance in Phaermacophore modelling using PHASE provided by Schrodinger?
07 August 2015 7,002 0 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'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
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
Is it the "elution buffer" or the "dialysis buffer"? Note: I'll be using NanoDrop OneC
01 August 2024 967 3 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
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