How to dock a protein onto a big molecular complex?

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Dataset of synchronized cardiac angiography and ECG?

Hello, I'm working on medical project and I would need synchronized angiography with ECG? Does anyone know if some open source dataset of this kind exist? Regards, Bruno

25 July 2024 2,213 2 View

Is possible to edit a gene present in a plasmid by Crispr Cas9?

Hello everyone! Someone working with Crispr Cas9. I have a question. Is it possible to edit a gene that is present on a plasmid (in this case with a low copy number)? In this case, is it possible...

22 July 2024 7,073 2 View

Cheaper alternative to XSens mocap system for ergonomic data acquisition?

Hello all, I'm starting a project where we want to automate the video analysis of people working in different environments to produce ergonomic measures like hip flexion, shoulder extension, etc....

16 June 2024 1,843 1 View

Does anyone have experience with immunofluorescence of endoplasmatic reticulum?

Hi! I have performed several immunofluorescences of cultured ARPE-19 cells with different antibodies expecting in each one a cytoplasmic localization. However, it seems to localize in the...

06 June 2024 7,764 1 View

How can I change the coordinate system in Abaqus using Python?

Hello, I'm writing Python scripts for Abaqus and I'm facing a problem. I need to change the coordinate system in a .odb file before extracting data but I'm stuck. I can create my coordinate system...

30 May 2024 7,430 3 View

How can I induce neuroinflammation with LPS in HMC3 cells ?

dear all, I try to induce neuroinflammation in HMC3 cells using LPS for 24h. The concentration used was 500 ng/ml. But unfortunately no change on TNFa was obtained in LPS versus Control...

29 May 2024 4,006 1 View

Are the grey/white bands composed of magnetite and haematite or are there more iron oxdies/suplfides?

This is a Fe-concretion (about 2 cm in diameter) of possible sedimentary origin (Carpathian Flysch; reflected light microscopy). I suppose the dark grains are could be quartz, subsequently...

22 May 2024 7,954 2 View

Does anyone know of a validated questionnaire on self-efficacy in health professionals / medical doctors?

I am searching for a validated measurement instrument to assess self-efficacy in health care professionals / medical doctors / general practitioners regarding their tasks in medical care and...

21 May 2024 654 0 View

Biobase BKQ-B120L autoclave issues?

I am trying to get a new Biobase BKQ-B120L autoclave to work however it does not go through its cycles. It will start up and go to about 110C and then remains there untill the ERR alarm sounds....

21 May 2024 4,885 1 View

Why do I get frameshift mutants in antibody phage display?

I'm performing an antibody phage display with a VHH library and I consistently get frameshift mutants (mainly frame +2) after biopanning. I'm using TG-1 cells for amplification of phagemids and...

14 May 2024 412 2 View

Are there instances where molecules with larger molecular weights exhibit greater mobility than those with smaller molecular weights?

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

For an in-vitro drug release study, what molecular weight cut-off (MWCO) dialysis bag is required for a 117 kDa protein?

kindly reply me. Thanking you in advance.

05 August 2024 7,726 4 View

How to start a Molecular Dynamics Simulation?

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

Can anyone provide me with molecular docking softwares/ websites?

Molecular docking software/ websites?

02 August 2024 8,703 7 View

Which will be the best software for the Hydration shell analysis with molecular dynamics?

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

How to restart MD without using checkpint file in GROMACS?

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

AutoGrid and Autodock 4.2.6 window opens for 1 second then closes and there is no output files?

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

Is it possible to dock more than one drug in the same active site or pocket of a protein to study synergistic/antagonistic/additive properties?

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

How to prepare a molecule for molecular dynamics calculations?

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

Illustra™ MicroSpin™ G-25 columns what it is used for?

Hello, We found three packages of Illustra™ MicroSpin™ G-25 columns in the cabinet of an unused lab. They are very old but have never been opened. I have never used this kit before, and I couldn't...

25 July 2024 4,926 3 View

Mahla Mehrparvar

Hello

Docking software shows the best position for ligand binding as well as the best conformer after calculations are completed.

moe, AutoDock, Schrödinger & ... perform docking calculations.

Victor Omoboyede

I would suggest you use web servers like ClusPro, Hawkdock and others. This is due to the computational power it requires to get accurate results.