Daniel Wiczew

7 Questions 9 Answers 0 Followers

Questions related from Daniel Wiczew

Higher variance in PCA can mean, that data structure is less informative?

I have the possibility to describe data with two different data structures, both data structures are some sort of approximation to the true data. I would like to compare the two data structures...

02 June 2020 4,846 4 View

How to create restrains from NOESY assigment?

Hello, I've NOESY assigned into weak/medium/strong intensity, which is done for certain peptides. Since XPLOR-NIH requires restrains based on the NOESY data, then how to generate restraints based...

08 April 2020 472 0 View

It is possible to determine protein structure from NOESY NMR using XPLOR-NIH if you have one non-parametrized aminoacid?

The problem is following, there is a protein with one unnatural amino acid, which is not parametrized in the CHARMM forcefield. Furthermore, I have a NOESY 2D H1 NMR of the protein. It is possible...

21 February 2020 4,103 0 View

There is a possibility to check an interaction between two proteins using the STRING database ?

Hello, I would like to find whether two proteins have a common interaction path in the graph using the STRING database. There is software that is doing it?

02 December 2019 280 3 View

Secondary products of lipid oxidations - they are stable?

I've a question regarding lipid oxidation - there are secondary products with truncated chains (like PoxnoPC and PazePC). The question is if they are stable, since I can't find any publication...

15 October 2019 8,235 4 View

Maximum disk space MP2 GAMESS?

How to setup maximum disk space in MP2 using GAMESS ? Since, when CODE=IMS is used, the disk is filled with TB of data, there is a possibility to reduce it ?

20 June 2019 4,022 1 View

There is a NSAID which does not belong to COX2 inhibitors ?

All NSAIDs are COX2 inhibitors ? There is any NSAID which does not belong to the COX2 inhibitor family ?

06 June 2018 2,736 4 View