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Zhang et al. 2021 (https://doi.org/10.1038/s41427-021-00320-0):
This paper has reviewed several simulations to study the interaction of nanoparticles (NPs) and membrane. This paper said there are se…
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- [ ] A tutorial on DeepChem dataloaders and how a DataLoader can be used to load in a new dataset
- [ ] A tutorial on deep microscopy, focusing on cell counting and cell segmentation
- [x] A tuto…
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In this issue, [comment with `@njzjz-bot `](https://github.com/njzjz/wenxian/issues/23#issuecomment-2121998880):
```
@njzjz-bot 2312.15492
```
[The GitHub Actions will reply](https://github.co…
njzjz updated
1 month ago
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@doi:10.1021/bi501056h
> We have employed molecular dynamics (MD)
simulation to investigate, with atomic details, the structural dynamics
and energetics of three major ATPase states (ADP, APO, and …
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**Aim:**
This issue addresses how to apply LigGrep to filter through docked ligand poses to check that they retain key interactions with the protein that are observed in crystallographic fragment-p…
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Hi, the example about the QM9 database is very illustrative for me to perform regression of molecular properties on my own dataset.
¿It would be possible to implement the computation of the deriva…
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"Docking" used to be a Topic (EDAM 1.12) but was deprecated, and merged into the notion of [Molecular modeling](http://edamontology.org/topic_2275). Yet it's suggested as a topic in https://github.co…
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Dear Molly developers,
I have been working on ion implantation simulation for a while and want to develop some new algorithms to deal with the microscopic collisions. Then I came across `Molly.jl`,…
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Hi JLian, i am working with Matlab, and I have read about your 2d gas simulation. I have a question about TwoDSim.m
![image](https://user-images.githubusercontent.com/92683572/140588206-714c4237-33f…
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* [Link](https://arxiv.org/pdf/1708.03661.pdf)
* Title: Revisiting the Hybrid Quantum Monte Carlo Method for Hubbard and
Electron-Phonon Models.
* Keywords (optional):
* Authors (optional): …