How to calculate Ligand-active site distance in a ligand-protein complex from MD simulation?

I have run a MD simulation of a ligand-protein complex in GROMACS using CHARMM forcefield. Reviewer has asked me to calculate Ligand-activesite distance and binding free energy of ligand with...

27 February 2021 4,703 1 View

What software programs can directly simulate Additive Manufacturing Directed Energy Deposition (DED)?

I understand there are a lot of software programs that can simulate DED by going through specific modeling, simulation, and commands. For me, that was time consuming and results were not accurate....

24 February 2021 4,428 3 View

How to indicate the degree of litter decomposed by microbes?

Any technique could detect the degree of litter decomposed by microbes? Or any indexes could do this job? I want to split the contribution of microbes during decomposition, so any suggestions...

23 February 2021 1,362 5 View

How to Implement Elastoplasticity in a PCL model in COMSOL Multiphysics?

I am using COMSOL Multiphysics 5.5. I am trying to simulate the tensile test of PCL scaffolds. However, regardless of the strain, I have the elastic region all the time which is not true when it...

23 February 2021 4,050 1 View

What is the minimum number of studies in each category required for a multiple subgroup analysis to be viable in a meta-analysis?

Cochrane Handbook mentions subgroup analyses are only warranted if there are more than 10 studies (I have 28), and if they are distributed evenly among categories of subgroup. I am wondering if...

17 February 2021 3,467 4 View

How do you interpret multiple meta-regression in STATA?

Please could someone recommend a resource that explains performing meta-regression with multiple moderators. I have read the STATA META ANALYSIS REFERENCE MANUAL, but this only gives examples of...

17 February 2021 7,376 1 View

How many indicators do I need to represent a latent construct?

Hi folks! We did a large survey and planned to use 3 indicators to represent a latent construct (Sense of Place/SoP) in a latent regression model (structural equation modeling). However, one of...

15 February 2021 7,705 3 View

What is the structure of a photon that can describe the interference experiments that reject the wave nature of light?

De Broglie's double-solution postulated a causal model of Quantum Mechanics. Knowledge of the photon structure was needed to model the particle part of the cause of the Double Slit interference...

11 February 2021 6,869 5 View

Would bisulfide sequencing result be affected if the tissue is fixed by perfusion?

I am looking into DNA methylation of mice as an aging marker along with other assays and recently I added brain IF to the list of assays. For this, I need to fix the brain by transcardial...

09 February 2021 9,012 3 View

Why E1g mode (Molybdenum disulfide) is undetectable in Raman spectroscopy?

I synthesized 1T/2H hybrid phase MoS2 on a graphite foil surface by hydrothermal method, and then analyzed it by Raman spectroscopy. As a result, three new peaks correspond to the 1T phase were...

04 February 2021 6,580 2 View

How to visualise pathways from a phosphoproteomics dataset?

I am looking for something similar than Ingenuity Pathway Analysis (IPA) in which I can enter the proteins differentially phosphorylated and I can visualise the pathways these proteins are...

21 February 2021 8,923 4 View

Generate a structure file through PGDSpider?

Hi, I am trying to generate a structure file through PGDSpider, for a diploid organism, where each locus is in two consecutive columns in one row, rather than data for each individual be stored...

29 December 2020 5,169 1 View

Is there any chemical or surgical method to induce hypoxia in mouse model?

Dear all, My question is about Inducible hypoxia in vivo (mouse model). I'm looking for some chemicals that can induce the pathway of hypoxia or some other techniques. If you now know something...

15 December 2020 866 6 View

Can somebody recommend me a decent textbook to learn more about signaling pathways and their mechanistic principles in general?

I studied biochemistry and molecular biology in my bachelors and Immunology in my masters. I never came across a suitable course for general signaling pathways and principles. My interest is...

13 December 2020 5,690 5 View

Analysis of significance by using R programming ?

Dear All, I have the data of metabolic pathways in case and control, well there are pathways which are represented several times due to the involvement of reactions in case, well now I would...

09 December 2020 4,494 5 View

Can xylose be formed from fructose over acid catalysts?

I am new in the field of sugar chemistry. I wanted to know if it is possible for fructose to be converted to xylose over acidic conditions. I saw in some schemes a pathway from fructose to xylose...

07 December 2020 5,247 3 View

Why do cell sensitivity to antibiotic resistance increase after lentiviral infection?

03 November 2020 7,754 2 View

What is the difference between endometriosis and ovarian cancer in terms of signaling pathway?

Hello Recently, I am curious to know about mechanisms of endometriosis and signaling pathways. I have a question about the difference between signaling pathways in benign tumors and malignant...

26 October 2020 3,891 6 View

How do triploid acacia clones grow?

Some triploid acacia clones in Viet Nam have shown high potential in growth, disease resistance and good adaptation.

14 September 2020 1,983 3 View

How do i interpret these findings from a multiregression analysis and mediation analysis using PROCESS?

Hi, I am conducting a cross-sectional quantitative study, originally i was using 4 predictor variables and criterion and used multi-regressional analysis. This was significant and lead to three...

26 August 2020 3,586 3 View