Results 21 to 30 of about 392,552 (294)
Computational and Theoretical Chemistry, 2012 Covalent bonds form the skeleton of molecules while non-covalent interactions allow them to modulate their shape and some of their characteristics. The lability of the non-covalent interactions due to subtle changes in the environment is of primary importance in biochemical processes. Thus, for instance, the interaction of a hormone with a receptor can
Alkorta, Ibon, Grabowski, S. J.
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Non-Covalent Interactions in Polymers
Polymers, 2023 Non-covalent interactions are one of the key topics in modern chemical science. These inter- and intramolecular weak interactions (e.g., hydrogen, halogen, and chalcogen bonds, stacking interactions and metallophilic contacts) have a significant effect on the properties of polymers.
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Small Molecules, Non-Covalent Interactions, and Confinement [PDF]
Molecules, 2020 This review gives an overview of current trends in the investigation of small guest molecules, confined in neat and functionalized mesoporous silica materials by a combination of solid-state NMR and relaxometry with other physico-chemical techniques.
Gerd Buntkowsky, Michael Vogel
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Investigation of atomic level patterns in protein--small ligand interactions. [PDF]
PLoS ONE, 2009 BACKGROUND: Shape complementarity and non-covalent interactions are believed to drive protein-ligand interaction. To date protein-protein, protein-DNA, and protein-RNA interactions were systematically investigated, which is in contrast to interactions ...
Ke Chen, Lukasz Kurgan
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Sterically restricted tin phosphines, stabilized by weak intramolecular donor-acceptor interactions [PDF]
, 2014 Funding: Engineering and Physical Sciences Research Council (EPSRC)Four related sterically restricted pen-substituted acenaphthenes have been prepared containing mixed tin phosphorus moieties in the proximal 5,6-positions (Acenap[SnR3][(PPr2)-Pr-i ...
Arachchige, Kasun S. Athukorala +9 more
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Identification of Protein–Phenol Adducts in Meat Proteins: A Molecular Probe Technology Study
Foods, 2023 Plant polyphenols with a catechol structure can form covalent adducts with meat proteins, which affects the quality and processing of meat products. However, there is a lack of fast and effective methods of characterizing these adducts and understanding ...
Fenhong Yang +8 more
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Electronic structure, phase stability and chemical bonding in Th$_2$Al and Th$_2$AlH$_4$ [PDF]
, 2001 We present the results of theoretical investigation on the electronic structure, bonding nature and ground state properties of Th$_2$Al and Th$_2$AlH$_4$ using generalized-gradient-corrected first-principles full-potential density-functional calculations.
A. Chikdene +41 more
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Multi-site H-bridge breathers in a DNA--shaped double strand [PDF]
, 2003 We investigate the formation process of nonlinear vibrational modes representing broad H-bridge multi--site breathers in a DNA--shaped double strand. Within a network model of the double helix we take individual motions of the bases within the base ...
Alvarez A +9 more
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Real space bond orders are energetic descriptors [PDF]
, 2018 We thank the Spanish MINECO/FEDER, grant CTQ2015-65790-P, and the FICyT, grant GRUPIN14 ...
Francisco Miguélez, Evelio +1 more
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Non-conventional interactions of N3 inhibitor with the main protease of SARS-CoV and SARS-CoV-2
Computational and Structural Biotechnology Journal, 2021 The extensive spread of COVID-19 in every continent shows that SARS-CoV-2 virus has a higher transmission rate than SARS-CoV virus which emerged in 2002. This results in a global pandemic that is difficult to control.
Ponciano García-Gutiérrez +5 more
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