Sergey Shityakov

6 Questions 22 Answers 0 Followers

Questions related from Sergey Shityakov

How to perform the ordinary one-way ANOVA analysis to compare the pharmacological effects for different drug-like substances?

The one-way ANOVA analysis is important to find out whether measured pharmacological effects (the means and medians) observed for three or more drugs are distinct or they are due to a chance....

12 May 2020 4,742 6 View

Are there any changes in the tensional behavior of single-wall carbon nanotubes (CNT) with different chiral indexes?

We simulated (LAMMPS program) the tensional behavior of CNTs with different chiral indexes (10, 10; 0, 10, and 10,0) using the original CH.airebo potentials (Stuart et al., 2000). The plot...

17 January 2020 8,274 3 View

Why we have a discrepancy in the results while measuring sevoflurane loading and simulating its binding affinity to SBE-βCD at different temperatures?

Head-space Shimadzu GC-17A gas chromatography (Shimadzu Europa GmbH, Duisburg, Germany) was performed by using a flame ionization detector for the quantitative determination of sevoflurane loading...

03 January 2020 1,096 1 View

Is there an implementation of drug-polymer in silico models?

We have successfully generated the drug-polymer (PET) system for MD simulations with the MM-PBSA/GBSA approach. Is there an implementation of these drug-polymer in silico models to find any...

24 April 2017 4,353 2 View

We are looking for a collaboration to assist us in determining the experimental binding constant for the protein-drug system. Are you interested?

We are finalizing the manuscript where 50 ns MD simulations are presented on general anesthetic propofol bound to human serum albumin due to the drug pharmacokinetics and pharmacodynamics in the...

25 January 2017 9,124 3 View

Who would like to collaborate in the field of materials science?

I am actively looking for potential collaborators in the field of materials science (gas adsorption on different metal-organic frameworks). If you are interested, then contact me. Thank you.

25 October 2016 465 3 View