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Conformational cooling and conformation selective aggregation in dimethyl sulfite isolated in solid rare gases
(Elsevier Science, 2006-08)
Dimethyl sulfite has three conformers of low energy, GG, GT and GG0 , which have significant populations in the gas phase at room temperature. According to theoretical predictions, the GT and GG0 conformers are higher in ...
How to distinguish ligand-binding mechanisms: an example of conformational selection disguised as an induced fit
(Inst Biology, 2019-10)
This report describes the implementation of a laboratory exercise for an advanced biochemistry or enzyme kinetics class at the undergraduate or graduate level, designed to improve understanding of protein conformational ...
Selectivity in the mechanism of action of antimicrobial mastoparan peptide Polybia-MP1
(Springer, 2008-07-01)
Many potent antimicrobial peptides also present hemolytic activity, an undesired collateral effect for the therapeutic application. Unlike other mastoparan peptides, Polybia-MP1 (IDWKKLLDAAKQIL), obtained from the venom ...
Selectivity in the mechanism of action of antimicrobial mastoparan peptide Polybia-MP1
(Springer, 2008-07-01)
Many potent antimicrobial peptides also present hemolytic activity, an undesired collateral effect for the therapeutic application. Unlike other mastoparan peptides, Polybia-MP1 (IDWKKLLDAAKQIL), obtained from the venom ...
Selective Sulfenylative Desulfonylation or Decarbalkoxylation of -Sulfonyl Malonates with DABCO or Bu3N: Reactivity and Conformational Analysis
(TAYLOR & FRANCIS INC, 2010)
The study on reactivity of several -substituted -sulfonyl malonates toward 1,4-diazabicyclo[2.2.2]octane (DABCO) and Bu3N is described. The reactivity with DABCO revealed the possible competition between decarbalkoxylation ...
Conformers, infrared spectrum, UV-induced photochemistry, and near-IR-induced generation of two rare conformers of matrix-isolated phenylglycine
(American Institute of Physics, 2014-10)
The conformational space of α-phenylglycine (PG) have been investigated theoretically at both the DFT/B3LYP/6-311++G(d,p) and MP2/6-311++G(d,p) levels of approximation. Seventeen different minima were found on the investigated ...
A comparative conformational analysis of thimet oligopeptidase (EC 3.4.24.15) substrates
(Munksgaard Int Publ Ltd, 1998-06-01)
The specificity of thimet oligopeptidase (EC 3.4.24.15) (TOP 24.15) does not agree with theoretical models devised to explain the specificity characteristic of peptidases toward certain sequences of amino acid residues. ...
An ab initio exploratory study of side chain conformations for selected backbone conformations of N-acetyl-L-glutamine-N-methylamide
(Elsevier Science, 2001-07)
The backbone potential energy surface (PES) (Ramachandran map) of N-acetyl-L-glutamine-N-methylamide has been studied at a,a side-chain orientation. Side-chain PESs at selected backbone conformations (γL and βL) were also ...
Perfectness of clustered graphs
(Elsevier Science, 2013-11)
Given a clustered graph (G,V), that is, a graph G=(V,E) together with a partition V of its vertex set, the selective coloring problem consists in choosing one vertex per cluster such that the chromatic number of the subgraph ...