Results 251 to 260 of about 1,416,280 (277)

Collision-induced reporter fragmentations for identification of covalently modified peptides

Analytical and Bioanalytical Chemistry, 2007
Collision-induced reporter fragmentations of the currently most important covalent peptide modifications as detected by tandem mass spectrometry are summarized. These fragmentations comprise the formation of reporter ions, which are preferentially immonium ions, immonium ion-derived fragments or side chain fragments.
Chien-Wen, Hung, Andreas, Schlosser, Junhua, Wei, Wolf D, Lehmann   +3 more
openaire   +2 more sources

Combined quantum Monte Carlo – effective fragment molecular orbital method: fragmentation across covalent bonds

Physical Chemistry Chemical Physics, 2021
The previously developed combined Quantum Monte Carlo-Effective Fragment Molecular Orbital (QMC-EFMO) method is extended to systems in which the fragmentation process cuts across covalent molecular bonds.
F. Zahariev, M. S. Gordon
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Covalent immobilization of trypsin on glutaraldehyde-activated silica for protein fragmentation

Artificial Cells, Blood Substitutes, and Biotechnology, 2012
Trypsin was immobilized by covalent binding to glutaraldehyde-activated silica with and without a spacer arm; 1,6-diaminohexane and polyethyleneglycol as well. The addition of polyethyleneglycol (PEG) to the immobilization media increased the activity of immobilized trypsin in organic solvents, whilst free trypsin activity disappeared under the same ...
Daglioglu, Cenk, Zihnioglu, Figen
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Covalent fragment libraries in drug discovery—Design, synthesis, and screening methods

2023
As the development of drugs with a covalent mode of action is becoming increasingly popular, well-validated covalent fragment-based drug discovery (FBDD) methods have been comparatively slow to keep up with the demand. In this chapter the principles of covalent fragment reactivity, library design, synthesis, and screening methods are explored in depth,
Brad, Hocking, Alan, Armstrong, David J, Mann   +2 more
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Non-Covalent π-Stacking Interactions between Asphaltene and Porphyrin in Bitumen

Journal of Chemical Information and Modeling, 2020
In recent years, the dominant organizing role of non-covalent π-stacking interactions in the association of asphaltenes and porphyrins has been criticized and replaced with cooperative forces that are mostly covalent in nature.
M. Mousavi, E. Fini
semanticscholar   +1 more source

AI-assisted delivery of novel covalent WRN inhibitors from a non-covalent fragment screen

Bioorganic & Medicinal Chemistry Letters
Werner (WRN) helicase, has emerged as a promising therapeutic target for cancers associated with microsatellite instability (MSI). This letter describes the discovery of small molecule inhibitors from a fragment screen that occupy a cryptic, allosteric site of WRN helicase.
Geoffrey M T, Smith, Laksh, Aithani, Charlotte E, Barrett, Alwin O, Bucher, Christopher D O, Cooper, Sébastien L, Degorce, Andrew S, Doré, Catherine T, Fletcher, Sophie, Huber, Rosemary, Huckvale, Amanda J, Kennedy, Abigail A, Mornement, Mark, Pickworth, Prakash, Rucktooa, Conor C G, Scully, Sarah E, Skerratt   +15 more
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Covalent Fragment Screening Using the Quantitative Irreversible Tethering Assay

Journal of Visualized Experiments
Compounds that form covalent bonds with specific target proteins offer a variety of advantages as chemical probes and therapeutic agents. Most commonly, mildly reactive, electrophilic small molecules are employed to form covalent bonds with select cysteine side chains in specific proteins.
Charles P, Brown, Alan, Armstrong, David J, Mann   +2 more
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From Molecular Fragments to the Bulk: Development of a Neural Network Potential for MOF-5.

Journal of Chemical Theory and Computation, 2019
The development of first-principles-quality reactive atomistic potentials for organic-inorganic hybrid materials is still a substantial challenge because of the very different physics of the atomic interactions-from covalent via ionic bonding to ...
Marco Eckhoff, J. Behler
semanticscholar   +1 more source

Further correlations between fragment ion intensity and critical energy. Unimolecular covalent bond fragmentation

Organic Mass Spectrometry, 1985
AbstractA correlation of fragment ion intensity with critical energy found in the collisional activation spectra of [C4Ph]+˙ ions produced by electron impact can also be found in the unimolecular mass‐analysed ion kinetic energy spectra of these ions.
Maurice M. Bursey, Donald J. Harvan, J. Ronald Hass, Ernest I. Becker, Byron H. Arison   +4 more
openaire   +1 more source

Covalently linked sequencing primer (splinkers) for sequence analysis of restriction fragments

Gene, 1986
A new method for direct sequence analysis of DNA restriction fragments uses synthetic covalently linked complementary oligodeoxynucleotides, as universal sequencing primer linkers (splinkers). These splinkers were designed to contain an inverted repeat sequence which forms a double-stranded hairpin structure with a known restriction site. The splinkers
B W, Kalisch, S A, Krawetz, K H, Schoenwaelder, J H, van de Sande   +3 more
openaire   +2 more sources