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Questions related from Daniel Wiczew
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?
12 December 2019 5,869 3 View
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...
10 October 2019 2,166 5 View
Does anybody know, if I am raising temperature in NAMD with certain frequency, the simulation is held as NVT or NVE? Since, the temperature nor energy is not constant, what type of system it is...
02 February 2019 8,451 5 View
All NSAIDs are COX2 inhibitors ? There is any NSAID which does not belong to the COX2 inhibitor family ?
06 June 2018 9,882 4 View
Hello I have a very hard question. Let's consider a two molecular dynamics simulations with small-sized protein in the water solvent. 1. Simulation is performed with a crystallographic structure...
06 June 2018 952 10 View
Hello There is a way to interpret shapes of excited state molecular orbitals like in the case of pi, sigma and n orbitals? Let's take an example of those in the attachment, they are excited...
04 April 2018 7,126 0 View
I am trying to calculate some excitation states using Gaussian. When i run the CASSCF calculation in gaussian with nroot option (it gives opportunity to explore excitation states) - the Final...
11 November 2017 242 0 View
Hello I am preparing a transition metal system for calculations and i want to know energies of orbiatls and occupancy related to them. I set a HF calculation and NBO analysis in gaussian16, using...
11 November 2017 9,106 1 View
Hello How much time it takes from an environmental stressor to epigenetic change? Days? Hours? Weeks? There is an article for it? Since, i can't find anything about it.
01 January 1970 9,887 2 View
