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https://arxiv.org/abs/1510.02855
**At a glance**: Related to virtual screening #45. This approach does not use molecular fingerprints but rather the structural properties of ligand-protein target in…
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Hi all!
I would like to draw the interactions between the ligand and the protein but using a set of pairs and types that we have precalculated. At the end, what i need is to add the dashed lines b…
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@peastman and I discussed the potential for implementing something like the CHARMM [BLOCK](https://www.charmm.org/charmm/documentation/by-version/c40b1/params/doc/block/) facility for OpenMM to make i…
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An example is [4V9O](http://www.rcsb.org/structure/4V9O):
$ plipcmd -i 4V9O
Error: No file in PDB format available from wwPDB for the given PDB ID.
I currently have the structure store…
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Hello,
Should 'multi-organism signaling' be in GO? ('The transfer of information between living organisms.'), but there are no subclasses, and there is a single manual annotation (under dispute). …
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does not have the parent protein complex
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Hi,
Here is a suggestion for a new ECO term related to a technique to prove protein binding.
Protein binding evidence; ECO_0000024
Radioligand binding assays recording evidence; ECO_xxx
Reg…
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General Discussion for things that could help users navigate / use Factoid
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Hi,
I have been trying to download "plip" on my Mac laptop to use in a drug docking pipeline. When I try to run "plip" from the bash command line "$ plip" (after creating the alias) and from pytho…
ghost updated
6 years ago
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I ran the same system with two different setups. In one, my 'receptor' is immersed in water using clearance = 16 A. In the other one I make my receptor periodic by setting the periodic box around it t…