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Hello everyone. My name is [Hung](https://sydney.edu.au/science/people/hung.duong.394.php) and I'm a PhD student at the University of Sydney. My current research interests are in the drug discovery fo…
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_The below text was used in an application submitted by @mattodd in Feb 2019 to the [AI3SD](http://www.ai3sd.org/) network for funding. The title was "Predicting the Activity of Drug Candidates when t…
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Our latest results in #9 and #7 have given no indication that the cell images are meaningful for predicting chemical effects. There seems to be very little signal in this type of data. We may need t…
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Please see below for details of today's Zoom meeting discussing updates around the SARS-CoV-2 nsp13 helicase fragment-based drug discovery project for site 3.
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[Genheden, Samuel, and Ulf Ryde. “The MM/PBSA and MM/GBSA Methods to Estimate Ligand-Binding Affinities.” *Expert Opinion on Drug Discovery* 10, no. 5 (2015): 449–61](https://doi.org/10.1517/17460441.…
cramg updated
3 years ago
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Many thanks for your open-source code of Vina-GPU, it's excellent work for drug design and discovery. I am not familiar with c/c++. Could you help me compile it on ubuntu?
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- [ ] create s3 bucket using prefix with random suffix
- [ ] review whether supporting data file in own bucket
- [ ] update bucket usage in docs
_Originally posted by @zxkane in https://github.co…
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- pbmc_new (not sure it is here right now)
- [1k1k](https://pubmed.ncbi.nlm.nih.gov/35389779/)
- IBD: talk to Can
- Sciplex: @justjhong
- Drug discovery: @adamgayoso
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[Kumari, Rashmi, Rajendra Kumar, Open Source Drug Discovery Consortium, and Andrew Lynn. “G_mmpbsa —A GROMACS Tool for High-Throughput MM-PBSA Calculations.” *Journal of Chemical Information and Model…
cramg updated
3 years ago
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Millions of transcriptomics samples were generated by the Library of Integrated Network-Based Cellular Signatures [(LINCS) program](https://lincsproject.org/). When these data are processed into searc…