Juan Carlos Muñoz García

7 Questions 4 Answers 0 Followers

Questions related from Juan Carlos Muñoz García

Why is NMR transverse relaxation generally absent in solids?

I've read solid state NMR paper claiming that transverse relaxation is generally absent in solids but didn't find why. My understanding is that the non secular parts (J(w) and J(2w)) of transverse...

16 August 2017 9,010 2 View

How do you process a STD-NMR spectrum with iNMR?

I want to process STD-NMR spectra with iNMR but I couldn't find a way to do FT separately on the on-resonance and off-resonance FIDs and generate both 1H spectra

07 September 2016 758 3 View

Do you know a good/fast tool to analyse protein-lipid interactions from a MD trajectory (GROMACS trajectory)?

I mean the number of contacts per protein residue with different different parts of the lipids. It more or less can be done in GROMACS, but you need to create many indexes for each trajectory, so...

20 November 2014 6,082 2 View

Which is the most correct way to quantitate the relative integrals in a WaterLOGSY experiment, by area or lineshape integration as in STD-NMR? Why?

I'd like to know which method is more accurate and conceptually correct to integrate WaterLOGSY experiments, either by integration of area or by integration based on lineshape (relative to another...

13 October 2014 1,529 3 View

Problem inserting protein into a POPC bilayer?

I’m trying to embed a GPCR-ligand complex into a 128-lipid POPC bilayer (popc128a.pdb structure from Peter Tieleman’s group) using the following set of commands with GROMACS 4.6.5 (of course the...

27 May 2014 1,969 4 View

Why do constraints equal all-bonds during production run?

I’m quite new with GROMACS. I come from using AMBER for a long time and after doing quite a few GROMACS tutorials I’ve found in all of them that the variable “constraints" is set to “all-bonds”...

03 April 2014 6,372 4 View

How can you do Homology Modelling of a protein-ligand complex using just one template for the protein and just one template for the ligand?

I want to do homology modelling (using MODELLER) of a protein based on just one template because it is so far the only template of a particular protein state of its family I' m interest in....

05 February 2014 736 1 View