Please, How to calculate the Kd value at physiological temperature from ThermoFluor data?

Franco Henrique Andrade Leite @Franco_Henrique_Leite

07 July 2015 0 8K Report

I have dTm values (mean of triplicate determinations) for different ligand concentrations.

Best regards.

Badges
Science topic

More Franco Henrique Andrade Leite's questions See All

Please, I would like to know how to solve aggregation solvent problem (virtual atom) in my SILCS rouitne by gromacs?

MDP file is attached at box. I think that possible problem is virtual atom switch function parameters on MDP. Best regards, Franco Henrique.

08 September 2018 1,688 0 View

How can I determine the cut-off value to select average structure from Molecular Dynamics simulation in Gromacs 4.5.6?

I am currently using gromos method for clustering. Best regards.

08 September 2015 3,625 5 View

Can polymer concentrations be calculated based on the number average molecular weight?

Hello, I spin-cast two different polymers onto wafers and measure their height as a function of initial concentration. For polymer A, I have the weight-average molecular weight (Mw) as well as...

28 February 2021 7,882 2 View

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

Are there any open-source datasets containing physiological information about exercises to be used for an OR-model?

I have just recently started a new "weekend project" in addition to my master's studies and I am looking for a data-set. I would like to use some Operations Research to design an optimal gym...

22 February 2021 8,023 1 View

How to resolve Gaussian error termination " Error termination via Lnk1e in F:\G16W\l103.exe" for TS(QST3)?

When I run the job for TS(QST3) in gaseous phase, it was completed without any error. But when I add water in CPCM model it terminated with an error: Inconsistency: ModMin= 2 Eigenvalue=...

21 February 2021 3,198 2 View

Using the Pfaffl method: Is it possible that the ratio of the calibrator does not equal 1?

Hi all, I have a question regarding calculations using the Pfaffl method. I have 3 groups per experiment: 1 control group (calibrator) and 2 treatment groups with 6 to 7 biological repeats per...

19 February 2021 8,351 2 View

How long does it take to design and validate transition state analogue inhibitors?

Hi, I'm asking from the point of view of designing a research plan: How long (approximately) can it take to determine the transition state structure of an enzyme substrate using kinetic isotope...

14 February 2021 2,610 1 View

How to check if the PMF profile obtained from ABF simulation is correct?

I am doing ABF simulations to calculate ligand binding enegy. The PMF profile that I get using single long ABF simulation is attached as pmf_total.png. When I do this ABF calculation with 10...

10 February 2021 4,170 2 View

How do I prepare and store insect samples for JH measurements?

I need to preserve termite samples for future quantification of juvenile hormone in their bodies. Or extract the Juvenile Hormone and keep that samples stored for future quantification. I may need...

09 February 2021 1,995 1 View

Ligands with 3,4,5-trihydroxyphenyl group?

Hi In the design of a bidentate ligand with imine group, is it okay to have a 3,4,5-trihydroxyphenyl group in the structure? In other words, does the 3,4,5-trihydroxyphenyl group compete with...

08 February 2021 4,977 7 View

Is there any publication about the effect of basketball and volleyball on body height?

Many people believe that some stretching sports with vertical jump such as basketball and volleyball can increase the body height. On the other hand, others do not agree with this argument. The...

02 February 2021 281 6 View