When I tried to construct the force field of a ligand, the resulting charge of the molecule is -0.000004, not zero. How does the minor charge affect the dynamics of its acceptor?
I have carried out MD simulations about membrane channel. In the process of MD simulations, the upper leaflet and the lower leaflet were separated as shown in figure 1. I tried to center the two...
09 October 2016 8,958 3 View
when I write my new paper, I am really confused by the description of the mutants. For example, when I tried to describe PrP106-126 A116S, is "A116S mutated PrP106-126" right? or the A116S...
05 June 2014 8,671 0 View
When I finished REMD by amber 10 package, I tried to extract temperature trajectories. However, I can not extract the trajectory more than 200 ns even 300 replica exchange molecular dynamics...
02 March 2014 5,543 2 View
When I tried to analyse the structural diversity of a peptide and its mutants, I found it is difficult to connect the probability of hydrogen bond formation of a residue with its propensity to...
01 February 2014 6,709 3 View
I would like to understand potential safety concerns while handling SEB in the lab. Especially while working in animal house facility. Would like to know precautions for handling. Sigma MSDS...
07 August 2024 6,034 3 View
During low-temperature testing, new diffraction peaks that appear could be indicative of several phenomena. In one of our tests, we observed notable new peaks around 40° and 45° in a specific...
06 August 2024 726 3 View
Hi, I know that low molecular weight (MW) molecules generally tend to have higher mobility, while high molecular weight molecules tend to have lower mobility. However, in my experimental...
06 August 2024 1,495 2 View
Please can anyone support with the survey questions based on RQ measures and propose how to do it in FMCG industry and include as well the role of brand equity Thanks
06 August 2024 949 0 View
How to design VN primer to attach with universal reverse primer
05 August 2024 2,116 3 View
kindly reply me. Thanking you in advance.
05 August 2024 7,727 4 View
Is it possible to conduct a molecular dynamics simulation to see the effects of a specific carbohydrate on the structure of lipids (e.g., micelle structure)? I am a beginner in this field and plan...
03 August 2024 3,371 3 View
I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?
02 August 2024 3,143 4 View
Molecular docking software/ websites?
02 August 2024 8,704 7 View
Hello! I have this scale which had 10 items initially. I had to remove items 8 and 10 because they correlated negatively with the scale, and then I removed item 9 because Cronbach's alpha and...
01 August 2024 4,606 7 View