Colleagues, I need suggestions for PDB complexes with ligands (organic molecules) that prove difficult to validate by redocking, regardless of the program. Suggestions in the comments, and thanks in advance for your help.
I am planning to collect human fecal samples for metatranscriptomic analysis using MGI. These samples are from indigenous people living in a region with high temperatures. I will have access to a...
06 August 2024 1,365 3 View
Information literacy in higher education integration with curricula engineering
04 August 2024 5,368 3 View
I am interested in publishing an updated version of my final master´s project in Spain and i am not sure which steps to take. I am open to suggestions.
16 July 2024 7,431 1 View
Hey! I aim to generate a transgenic knockin zebrafish line that mimetizes a genetic condtition that leads to a certain disease on human. To do so, I need to insert a codon for mutagenic aminoacid...
14 July 2024 6,240 0 View
Please (for Arabidopsis), what could be a good Lumens and color range (Kelvin) range for full spectrum LED lamp tubes size T8 (120cm) for each shelve measuring 130x50 cm (length x width) and 60 cm...
11 July 2024 6,077 1 View
What are the standard applications of Cross Attention in Transformer Architectures ?
09 July 2024 9,310 2 View
Have been trying to induce THP-1 using PMA at different concentrations (range from 5 to 50 ng/mL) but after 48h all the conditions except the control are mostly dead, checked by trypan blue and...
03 July 2024 3,883 5 View
Are there standard RNN architectures been applied for Time Series Analysis, forecasting and anomaly detection problems ?
30 June 2024 3,169 8 View
Have we ever used LSTM architectures on Time-Series Forecasting and Analysis, and gotten a decent result ?
30 June 2024 6,924 3 View
I am new to running PCR gels. I loaded this gel and I thought it was fine, meaning I saw/felt no apparent punctures or spillovers to neighboring wells (see picture 1). When the gel started to run,...
30 June 2024 4,106 4 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 1,493 2 View
kindly reply me. Thanking you in advance.
05 August 2024 7,726 4 View
I have protein-membrane simulations (PDB, PSF, DCD) and have noticed that water molecules near the protein are not visible in the simulations. How can I fix this issue? Is there a way to place the...
04 August 2024 1,200 2 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
Molecular docking software/ websites?
02 August 2024 8,703 7 View
I am using a windows system, what software I should use for hydration shell analysis with molecular dynamics?
02 August 2024 3,142 4 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 3,083 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
If I want to calculate molecular dynamics (Gromacs), do I first need to optimize the geometry of the molecule? For example, I first draw the molecule in Avogadro, and then what? I guess I can't...
28 July 2024 672 3 View