Severin T Schneebeli
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Explore the profile of Severin T Schneebeli including associated specialties, affiliations and a list of published articles.
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51
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576
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Recent Articles
1.
Hamilton N, Yang B, Xiang C, Li T, Schneebeli S, Li J
bioRxiv
. 2025 Feb;
PMID: 39974954
The pituitary adenylate cyclase-activating polypeptide receptor I (PAC1R) represents a highly sought-after therapeutic target for chronic pain, migraine, and post-traumatic stress. As a class B G protein-coupled receptor (GPCR), the...
2.
McCarthy D, Xu K, Schenkelberg M, Balegamire N, Liang H, Bellino S, et al.
Chem Sci
. 2024 Mar;
15(13):4860-4870.
PMID: 38550687
Geometric isomerism in mechanically interlocked systems-which arises when the axle of a mechanically interlocked molecule is oriented, and the macrocyclic component is facially dissymmetric-can provide enhanced functionality for directional transport...
3.
Thapa S, Clark F, Schneebeli S, Li J
J Chem Theory Comput
. 2023 Nov;
20(1):375-384.
PMID: 38013425
Peptide self-assembly is critical for biomedical and material discovery and production. While it is costly to experimentally test every possible peptide design, computational assessment provides an affordable solution to evaluate...
4.
Vestrheim O, Schenkelberg M, Dai Q, Schneebeli S
Org Chem Front
. 2023 Oct;
10(16):3965-3974.
PMID: 37906634
Covalently linked molecular cages can provide significant advantages (including, but not limited to enhanced thermal and chemical stability) over metal-linked coordination cages. Yet, while large coordination cages can now be...
5.
McCarthy D, Remington J, Ferrell J, Schneebeli S, Li J
J Chem Theory Comput
. 2023 Oct;
19(21):7873-7881.
PMID: 37877553
DNA nanostructures have emerged as promising nanomedical tools due to their biocompatibility and tunable behavior. Recent work has shown that DNA nanocages decorated with organic dendrimers strongly bind human serum...
6.
Corteselli E, Sharafi M, Hondal R, MacPherson M, White S, Lam Y, et al.
Nat Commun
. 2023 Jul;
14(1):4550.
PMID: 37507364
Protein-S-glutathionylation is a post-translational modification involving the conjugation of glutathione to protein thiols, which can modulate the activity and structure of key cellular proteins. Glutaredoxins (GLRX) are oxidoreductases that regulate...
7.
Remington J, McKay K, Beckage N, Ferrell J, Schneebeli S, Li J
J Comput Aided Mol Des
. 2023 Feb;
37(3):147-156.
PMID: 36840893
Molecules with bioactivity towards G protein-coupled receptors represent a subset of the vast space of small drug-like molecules. Here, we compare machine learning models, including dilated graph convolutional networks, that...
8.
Murphy K, McKay K, Schenkelberg M, Sharafi M, Vestrheim O, Ivancic M, et al.
Angew Chem Int Ed Engl
. 2022 Sep;
61(50):e202209772.
PMID: 36161747
We report a general synthetic route toward helical ladder polymers with varying spring constants, built with chirality-assisted synthesis (CAS). Under tension and compression, these shape-persistent structures do not unfold, but...
9.
McKay K, Hamilton N, Remington J, Schneebeli S, Li J
Front Mol Biosci
. 2022 Jul;
9:879212.
PMID: 35847975
The lack of biologically relevant protein structures can hinder rational design of small molecules to target G protein-coupled receptors (GPCRs). While ensemble docking using multiple models of the protein target...
10.
Remington J, Ferrell J, Schneebeli S, Li J
J Chem Theory Comput
. 2022 May;
18(6):3921-3929.
PMID: 35507824
Peptide binding to membranes is common and fundamental in biochemistry and biophysics and critical for applications ranging from drug delivery to the treatment of bacterial infections. However, it is largely...