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Non-covalent interactions in biomacromolecules
Physical Chemistry Chemical Physics, 2007Non-covalent interactions play an important role in chemistry, physics and especially in biodisciplines. They determine the structure of biomacromolecules such as DNA and proteins and are responsible for the molecular recognition process. Theoretical evaluation of interaction energies is difficult; however, perturbation as well as variation ...
Jirí, Cerný, Pavel, Hobza
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The surface site interaction point approach to non-covalent interactions
Chemical Society Reviews, 2022 Non-covalent interactions are described using the SSIPs. Simple rules of thumb for predicting binding constants for any functional group interaction in any solvent are described, as well as general treatments of molecular properties like partition.
Maria Chiara Storer +1 more
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Studying non-covalent drug–DNA interactions
Archives of Biochemistry and Biophysics, 2015Drug-DNA interactions have been extensively studied in the recent past. Various techniques have been employed to decipher these interactions. DNA is a major target for a wide range of drugs that may specifically or non-specifically interact with DNA and affect its functions.
Sayeed Ur, Rehman +4 more
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Non-covalent interactions in clathrate complexes
Journal of Coordination Chemistry, 2021Intermolecular interactions in clathrates are compared to those in supramolecular complexes in solution, with an emphasis on van der Waals, or dispersive contributions.
Janusz Lipkowski, Hans-Jörg Schneider
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Nanopore Stochastic Sensing Based on Non-covalent Interactions
Analytical Chemistry, 2021A variety of species could be detected by using nanopores engineered with various recognition sites based upon non-covalent interactions, including electrostatic, aromatic, and hydrophobic interactions. The existence of these engineered non-covalent bonding sites was supported by the single-channel recording technique. The advantage of the non-covalent
Xiaohan Chen +3 more
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Genotoxicity of non-covalent interactions: DNA intercalators
Mutation Research - Fundamental and Molecular Mechanisms of Mutagenesis, 2007This review provides an update on the mutagenicity of intercalating chemicals, as carried out over the last 17 years. The most extensively studied DNA intercalating agents are acridine and its derivatives, that bind reversibly but non-covalently to DNA. These are frameshift mutagens, especially in bacteria and bacteriophage, but do not otherwise show a
Lynnette R, Ferguson, William A, Denny
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Non‐Covalent Interactions in Polysaccharide Systems
Macromolecular Bioscience, 2006AbstractSummary:This paper describes the behavior of some polysaccharides with well‐known chemical structures and in which the influence of cooperative secondary interactions play an important role. The roles played by hydrophobic and ionic interactions (including ionic selectivity) on polysaccharide conformation and gelation are discussed ...
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Regulation by Non-Covalent Interactions
2009The regulation of enzymatic activity through non-covalent interactions allows the cell to react quickly and in a reversible manner.
Jeannine Yon-Kahn, Guy Hervé
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Non-covalent interactions – QTAIM and NBO analysis
Journal of Molecular Modeling, 2012MP2(full)/6-311++G(3df,3pd) calculations were carried out on complexes linked through various non-covalent Lewis acid - Lewis base interactions. These are: hydrogen bond, dihydrogen bond, hydride bond and halogen bond. The quantum theory of ´atoms in molecules´ (QTAIM) as well as the natural bond orbitals (NBO) method were applied to analyze properties
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