Results 21 to 30 of about 2,976,941 (240)
Recent Developments in Noncovalent Interaction Methods [PDF]
, 2023 The development of noncovalent interaction methods has been a long journey since the first use 40 years ago. Enormous efforts have been made, starting from a simple semiempirical approach to a complex wavefunction approach. In this review, we will first
Daniel, Sethio, Daniel Sethio
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Tryptophan, an Amino-Acid Endowed with Unique Properties and Its Many Roles in Membrane Proteins
Crystals, 2021 Tryptophan is an aromatic amino acid with unique physico-chemical properties. It is often encountered in membrane proteins, especially at the level of the water/bilayer interface.
Sonia Khemaissa +2 more
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Covalently triggered self-assembly of peptide-based nanodrugs for cancer theranostics
iScience, 2023 Summary: Covalently triggered peptide self-assembly is achieved through sequential integration of spontaneous covalent reaction and noncovalent interactions, thus both enhancing the physiological stability and extending unexpected functionality of the ...
Yamei Liu +3 more
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Intermolecular noncovalent interactions with carbon in solution
Chemical Science, 2022 NMR spectroscopy combined with MD simulation and electronic structure calculations enabled us to quantify the energetics of the intermolecular n → π* interaction and carbon-bonding (n → σ* interaction) in solution.
Juhi Dutta +3 more
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Evaluation of Electron Density Shifts in Noncovalent Interactions [PDF]
The Journal of Physical Chemistry A, 2021 In the present paper, we report the quantitative evaluation of the electron density shift (EDS) maps within different complexes. Values associated with the total EDS maps exhibited good correlation with different quantities such as interaction energies, Eint, intermolecular distances, bond critical points, and LMOEDA energy decomposition terms. Besides,
Iñigo Iribarren +4 more
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The halogen bond with isocyano carbon reduces isocyanide odor
Nature Communications, 2020 Carbon atoms of various species typically function as acceptors of noncovalent interactions when they are part of a π-system. Here, the authors report their discovery of a noncovalent halogen bond involving the isocyano carbon lone pair, which results in
Alexander S. Mikherdov +3 more
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Molecules, 2023 We discuss the problematic terminology of “noncovalent interactions” as commonly applied to hydrogen bonds, rotation barriers, steric repulsions, and other stereoelectronic phenomena.
Frank Weinhold
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Design of artificial metalloproteins/metalloenzymes by tuning noncovalent interactions [PDF]
, 2018 Noncovalent weak interactions [hydrophobic interaction and hydrogen (H)-bond] play crucial roles in controlling the functions of biomolecules, and thus have been used to design artificial metalloproteins/metalloenzymes during the past few decades.
4 +4 more
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Multicomponent self-assembly based on bioactive molecules of traditional Chinese medicine (TCM)
Pharmacological Research - Modern Chinese Medicine, 2022 In traditional Chinese medicine (TCM), medicinal materials such as herbal are mostly used as complex prescription, which composed of a variety of bioactive molecules.
Liangchun Li, Renlin Zheng, Rongqin Sun
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Noncovalent interactions in crowded olefinic radical cations
Журнал органічної та фармацевтичної хімії, 2020 Aim. To study the effect of electronic (α- and β-hyperconjugations) and steric (noncovalent interactions) factors on the structures of olefinic radical cations. Results and discussion.
Andrey A. Fokin +7 more
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