How to view the conformation change in protein after 50 ns MD simulations?
You can load the trajectory into VMD, and then do an alignment with the alpha carbon atoms of the protein (VMD--Extensions--Analysis--RMSD Trajectory Tool). After that you can view the confrontational change by watching the trajectory.
You can load it in the Discovery studio software.
I use Discovery Studio Visualizer v17.2.0.16349. How to load it? Please let me know.
Hello, Why do i see this baseline drift when i compare my blank (black) to the sample (blue)? Any suggestions as to why this happened? Thank you!
11 August 2024 3,770 4 View
We intend to study the interaction between peptides and polymer (like PP, PE and PS) through MD simulations using Martini force fields ( Martini 2 for PP and Martini 3 for PE, PS). We have...
08 August 2024 4,842 0 View
A fungal strain was treated with nanoparticles. We want to do an environmental SEM analysis. So could anyone share your views on preparing the sample? Thank you.
07 August 2024 5,307 1 View
Any suggestions with respect to etchant composition and holding time?
27 July 2024 6,925 2 View
How to get Scopus Author Index ??
18 July 2024 4,080 3 View
through origin software
17 July 2024 4,991 0 View
This question explores the world of food innovation and asks if there are computer programs that can analyze the financial and technical feasibility of introducing new food products. For instance,...
13 July 2024 7,446 0 View
what all details we will get from fluorescence life time data
10 July 2024 505 1 View
Hi Everyone, I plan to deposit a catalyst (TS-1@Co-PDA, in the core: TS-1 zeolite with a shell of Polydopamine designed with Cobalt) on a rotating ring-disk electrode (RRDE) to evaluate the...
29 June 2024 8,203 3 View
Has the new journal impact factor for 2024 been released? pls send me updates if anyone has it.
19 June 2024 6,333 1 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
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
Can we patent a process flow diagram developed using a process simulator but no actual cases is carried out? For example consider a process for certain product manufacture where a new process flow...
31 July 2024 781 1 View
Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...
29 July 2024 1,092 2 View
Dear All Gromacs User I would like to restart MD without using checkpint .cpt files? I heard there is a way for acheiveing this. Any input and sugegstions are most welcome. Thanking You Budheswar
29 July 2024 3,084 8 View
Good day, I am a student trying to work on Autodock for a project regarding Ligand-DNA interaction so i am quite new to molecular docking. i have followed tutorials and did all the steps...
28 July 2024 2,136 4 View
I wanted to know whether we can observe the synergistic/antagonistic/additive properties of combinations or mixtures of compounds through docking analysis. But during docking preparation any...
28 July 2024 7,413 6 View
