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About This Item
Empirical Formula (Hill Notation):
C6H12N2O3
CAS Number:
Molecular Weight:
160.17
MDL number:
UNSPSC Code:
12352103
PubChem Substance ID:
Pricing and availability is not currently available.
assay
98%
SMILES string
CC(N)C(=O)NC(C)C(O)=O
InChI
1S/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)
InChI key
DEFJQIDDEAULHB-UHFFFAOYSA-N
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Insufficient oral bioavailability is considered as a key limitation for the widespread development of peptides as therapeutics. While the oral bioavailability of small organic compounds is often estimated from simple rules, similar rules do not apply to peptides, and even
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We investigate the interaction between D-Ala-D-Ala peptide and a stainless steel (SS) surface by AFM force spectroscopy with view to understand the role and nature of interfacial processes at the single molecule level. For this purpose, force-distance curves were recorded
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The self-guided Langevin dynamics (SGLD) is a method to accelerate conformational searching. This method is unique in the way that it selectively enhances and suppresses molecular motions based on their frequency to accelerate conformational searching without modifying energy surfaces or
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A good comprehension of the reactivity of peptides in aqueous solution is fundamental in prebiotic chemistry, namely for understanding their stability and behavior in primitive oceans. Relying on the stereoselectivity of the involved reactions, there is a huge interest in
Andrew L Ferguson et al.
The Journal of chemical physics, 134(13), 135103-135103 (2011-04-12)
Nonlinear dimensionality reduction techniques can be applied to molecular simulation trajectories to systematically extract a small number of variables with which to parametrize the important dynamical motions of the system. For molecular systems exhibiting free energy barriers exceeding a few
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