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**In broad terms, what are you trying to do?**
Run absolute binding free energies (ABFE) for host-guest or protein-ligand systems on a scale ranging from 100-1000 systems. This is for benchmark…
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'Omics terms can be difficult to learn. Having them described in a single page may help new comers to overcome this barrier quickly and transfer knowhow that may be a pain to transfer through more for…
meren updated
2 years ago
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At our last check-in, Peter suggested I put together a tutorial series for getting started with MD in OpenMM; something similar to [Justin Lemkul's tutorials for GROMACS](http://www.mdtutorials.com/gm…
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Hello,
The proposal has been made to obsolete GO:0072321 chaperone-mediated protein transport & children, see https://github.com/geneontology/go-ontology/issues/20850
There are 27 annotations …
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Hi,
I am running what I call a "competition analysis" where I am inputting 3 chains into Uni-Fold, one of them is an antigen, e.g. PD-1, the other is the antigen ligand or cofactor, e.g. PD-L1, and…
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While setting up a number of simulations recently of the same protein sequence in slightly different conformations, which had not been superposed, I noticed that given a choice of padding in `app.mode…
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## Expected Behavior
Recently when we attempted to run AF2 on a complex but failed with following error message. We then test it with a notebook we ran before and same error was generated. Please hel…
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### A summary and discussion of the 19F NMR fragment screen approach towards the SARS-CoV-2 helicase, Nsp13.
### Current Objectives as of 11th March 2024:
**@TomkUCL:**
- [x] 1. Synthesis…
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Hi developer,
Thanks you for your program. It is quite easy to use and generate valuable results.
I want to get help with the de novo protein structure prediction using PSIPRED. I always got th…
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**Submitting author:** @https://github.com/JosePereiraUA (José Pereira)
**Repository:** https://github.com/sergio-santos-group/ProtoSyn.jl
**Branch with paper.md** (empty if default branch):
**Versio…