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Came across this while trouble-shooting some uncertainties I had with my mdp files. This was a valuable lecture to watch. Thank you!

I can't see the picture in md web due to lack to Java environment. I installed jmol. But even now I can't see. What should I do sir

Absolutely brilliant webinar!

Thank you for this explanation. Can you please also provide the downloadable standard mdp files for protein-protein/protein-ligand system. So we can compare the parameters explained in this session and see the effect on simulation with the changes.

Thank you

Very nice. But it supports every non standard aminoacid ?

Please i can't download the cpmd software -can you help me pls

Please can u she the PDF of the slides

Kimmel laser

Thank you so much, this is really informative! I just have a question, if possible, regarding fourierspacing, is there a problem if in a simulation for an apoprotein using Amber99SB ff, the fourierspacing value was set to 0.16 instead of 0.125? And should the fourierspacing value be the same for ligand-protein complex and its corresponding apoprotein?

how to create the pdb file of a protein? means what is this pdb format?

Thank you. really very helpful.

My PDB file is not getting upload on PRODIGY webserver: it gives the error: Error during parsing the input sructure: (protein.pdb - invalid literal for int() with base 10: ""D"")

This is so useful, thank you :)

Many thanks for thinking about newcomers! It's definitely a huge problem

Many thanks for your help! I wonder can you please share optimal parametric conditions for polymers rather than protein-based systems?

very informative. thank you so much. it really helps me to understand martini force field.

AWH as I understand is an enhanced sampling method which provides bias to the biomolecular system to cross the free energy barrier and hence newer conformations eventually evolve which are otherwise generally not visible in normal molecular dynamics simulation. How useful is this method compared to a philosophically similar technique known as metadynamics? Is AWH faster? Are there any comparison studies? Thanks in advance.

there was problem with intel hd610 igpu in win10 (neo driver)

I liked

Oh Yes!

Very enlightening

I wonder when the Google Deepmind team will compete in CAPRI. This will lead to a major breakthrough. After that, the main hurdle to a longer and healthier average lifespan will be legalizing genetic engineering.

Is it possible to use HADDOCK PDB-tools to add one amino acid to the pdb file?

Christian put slides on doi.org/10.5281/zenodo.3730680

Is it possible to get the slides for this webinar? They don't seem to be on SlideShare.

The audio after 22 minutes is not clear. Please fix this. Thank you for the presentation.

Very GOOD

Shouldn't the compressibilty be at 4.5e-5 (which is the value for water) instead of 4.5e-3? It even seems to indicate that in the documentation: manual.gromacs.org/documentation/2019.4/user-guide/mdp-options.html

Very good presentation. Loved it. Thanks for sharing!! ^^

Can you do demos of Enhancing methodd?, please.

Very good and informative presentation. Thanks BioExcel !

Interesant webinar

Very good!

Nice

Amazing, but does this mean i can measure my mobile AMD GPU as well with mdbenchmark?

Thank you very much. It´s so useful.

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