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 mutation? or its mutant A116S? Thank you, I am confused now.
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 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
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?
11 December 2013 5,664 0 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
Hi everyone, If you have written or come across any papers where Generalised Linear Mixed Models are used to examine intervention (e.g., in mental health) efficacy, could you please share the...
04 August 2024 4,130 4 View
HOW CAN I WRITE A CODE TO USE THE WAVENET TRANSFORM AS A FEATURE EXTRACTION METHOD INSTEAD OF DWT IN MATLAB?
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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
TEP presentation caption (The Environmental Project) Re: Why should Washington’s DC, or any country government point of location think of as nowadays of as to being 'tomorrow as to come! if it...
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I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?
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Molecular docking software/ websites?
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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
I want to write a topic for my PhD thesis in hospitality (hotels), can u please suggest some variables
29 July 2024 9,058 3 View