Following Esposito et al. (2020), I am trying to understand and replicate the methodologies that have been used. However, I am stuck at the final two steps. The specifications are attached. Any help is appreciated.
Suppose we consider the binding of a ligand L to a metal M, M+L=ML and M+2L=ML2 . We compute the Gibbs free energy change for two reaction using DFT. But can we compare this two free energies to...
12 January 2021 5,893 4 View
Is there possible that the Tea Gardens proves to be an alternative habitat to forest dwelling organisms? If yes, what pressure do they face in relation to anthropogenic pressure?
03 January 2021 429 13 View
Hi! I am introducing myself very new to Nektar++ (https://www.nektar.info/) opensource code. I installed the code according to the user guide manual. The installing process shows success. --...
02 January 2021 8,977 3 View
It is well known that for a closed shell (all electrons are paired up) molecule, the HOMO-LUMO gap is related to its stability. However, I often see that the same argument is used for open-shell...
01 December 2020 6,771 4 View
I want to block ROS production in mice and, therefore, looking for probable inhibitory compounds/protocols. I would appreciate it if anybody shares his/her knowledge of this.
25 August 2020 7,265 4 View
Hi, I want to study the dark network structure (social network for criminals). I want to study the network connections, important factors, significant leaders of the network. I already found one...
23 August 2020 4,239 3 View
I used the following codes to use the CC-GMM estimator developed by Neal (2015). I have treated the immigration variable (LIMM) as the endogenous variable. I attempted to instrument the endogenous...
16 August 2020 9,999 4 View
I have calculated the Pearson correlation coefficient for two sets of values using excel. I got the value in the negative number. I know that the idea of getting a negative correlation means that...
24 July 2020 6,317 13 View
Hi, I am trying to make a network between DElncRNAs and DEmiRNAs. Most of the DElncRNAs having NONHSAT, NONHSAG IDs. Is there any database or online tool which can map these IDs to miRNAs? I have...
10 April 2020 5,168 1 View
Hi All, As most of us are home quarantined and may not have enough chance to pump our brain muscles, herein I am introducing a brainstorming session, Puzzle Series. Just a bit refreshment within...
31 March 2020 7,111 3 View
I am try to make the Paal Knorr reaction between 2.5 hexnedione and 6-amino hexanoic acid, my problem is type of solvent to use, because 6-hexaminohexanoic acid is soluble in water but I am not...
02 March 2021 4,443 2 View
Please provide Book Title and author name
02 March 2021 9,059 3 View
01 March 2021 3,905 5 View
As random sampling means that everyone in the population have an equal chance to be chosen, can it have inclusion criteria? My research participants have been chosen based on the inclusion...
26 February 2021 6,905 10 View
I had a crystal hit in a well with 0.1M HEPEs pH 7.5, 10%(w/v) PEG 4000, and 20%(w/v) isopropanol. Why is isopropanol in w/v here if it's just solvent? How do I recreate this well condition?
25 February 2021 9,761 1 View
I am trying to better understand the scope of DNA replication and sequencing errors, e.g. 1. I have seen similar error rates of 10e4 to 10e5 for cell & instrumental DNA replication,...
24 February 2021 4,397 3 View
For a source to be considered reliable it must contain accurate historical information. But how does one determine the accuracy and reliability of sources in modern and recent history since not...
23 February 2021 1,346 13 View
I would like to know what is the standard protocol in the number of worms per plate and number of plates per concentration of extract X in a lifespan assay done in solid media and not automated...
23 February 2021 9,933 1 View
I need to carry out molecular dynamics simulation on Aluminium alloy. For this i need the crystal structure that which could be further replicated to form a structure.
22 February 2021 1,410 1 View
Hi Colleagues- What do you think about the following methodological issues: 1. Is it methodologically wrong to formulate quantitative research questionnaire based on inductive reasoning? 2. Is it...
21 February 2021 4,634 6 View