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- [ ] CA-A CANCER JOURNAL FOR CLINICIANS
- [ ] LANCET
- [ ] NEW ENGLAND JOURNAL OF MEDICINE
- [ ] JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION
- [ ] NATURE REVIEWS MOLECULAR CELL BIOLOGY
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Hi,
I want to model TCR-pMHC complex on my own server and I have downloaded `rosetta.binary.ubuntu.release-334` and installed the rosetta.
However, there is no such `tcr_complex_model.static.linux…
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**Context**
TREETime is a computational bottleneck in the Augur bioinformatic pipeline, especially when modeling thousands and thousands of raw genomic data.
Bottom line up, how to have Augur ab…
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Description
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I'm trying to calculate a whole bunch of descriptors, including some 3D descriptors using a set of SMILES. It doesn't give me any values for RASA, TASA, TPSA, etc., just an error in p…
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When we apply the shapes to a go_cam model, we need to formalize what the code should be providing in response. The shex libraries provide a mapping of the RDF nodes in the model to the labels of the…
goodb updated
4 years ago
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reported by: @CloudyLex
http://arxiv.org/abs/1107.3146
K-shell photoionization of Nickel ions using R-matrix
M.C. Witthoeft, M.A. Bautista, J. Garcia, T.R. Kallman, C. Mendoza, P. Palmeri, P. Quin…
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If you type babel -H
you get
Open Babel converts chemical structures from one file format to another
Usage: babel [Options]
Each spec can be a file whose extension decides the format.
Optio…
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reported by: @CloudyLex
we should agree with this calculation
```
Title:
Modeling of continuous absorption of electromagnetic radiation in dense partially ionized plasmas
Authors:
Mihajlov, A.…
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Gelis et al (https://doi.org/10.1002/anie.201103980) make a very good case that residues A104, F206, V260, S263, S264, and T279 are involved in ligand binding of n-amyl butyrate in OR2AG1. The article…
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**Hello All:**
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I am computing descriptors for a set of compounds using a code similar to the one shown below:
```
# create descriptor calculator with ALL descriptors
suppl = Chem.SmilesMol…