Results 41 to 50 of about 13,883,468 (305)

On the role of charge transfer in many-body non-covalent interactions [PDF]

, 2023
Charge transfer is one of the mechanisms involved in non-covalent interactions. In molecular dimers, its contribution to pairwise interaction energies has been studied extensively using a variety of interaction energy decomposition schemes.
Aurélien, de la Lande, Jan, Řezáč, Řezáč, Jan, de la Lande, Aurélien   +3 more
core   +1 more source

Alignment of non-covalent interactions at protein-protein interfaces. [PDF]

PLoS ONE, 2008
BACKGROUND: The study and comparison of protein-protein interfaces is essential for the understanding of the mechanisms of interaction between proteins.
Hongbo Zhu, Ingolf Sommer, Thomas Lengauer, Francisco S Domingues   +3 more
doaj   +1 more source

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
doaj   +1 more source

An internal thioester in a pathogen surface protein mediates covalent host binding [PDF]

, 2015
This work was supported by the MRC, UK grant MR/K001485 for MW, JME, MR, MJB, USL; the BBSRC, UK grant BB/J00453 and the John Innes Foundation for MJB; the Wellcome Trust Institutional Strategic Support Fund 097831/Z/11/B for AMD; Wellcome Trust/JIF ...
Kan, Su-Yin, Dziewulska, Aleksandra Malgorzata, Rohde, Manfred, Schwarz-Linek, Ulrich, Miriam Weckener, Shirran, Sally Lorna, Bergmann, Rene, Jackson, Rosemary J, Su-Yin Kan, Edwards, John Michael, Miller, Ona K, Banfield, Mark J, Aleksandra M Dziewulska, Schwarz-Linek, Uli, Florence, Gordon John, Saalbach, Gerhard, Rosemary J Jackson, Ulrich Schwarz-Linek, Catherine H Botting, Gerhard Saalbach, Dziewulska, Aleksandra M, Walden, Miriam, Jackson, Rosemary J., Mark J Banfield, Gordon J Florence, John M Edwards, Botting, Catherine H, Manfred Rohde, Banfield, Mark J., Sally L Shirran, Florence, Gordon J, Rene Bergmann, Weckener, Miriam, Miller, Ona Kealoha, Ona K Miller, Shirran, Sally L, Botting, Catherine Helen, Edwards, John M, Miriam Walden, Schwarz-Linek, Uli; id_orcid, Florence, Gordon John; id_orcid, Shirran, Sally Lorna; id_orcid   +41 more
core   +1 more source

Dynamic covalent epoxy network of hyperbranched-synergistic-supramolecular: Catalyst-free reprocessing, and application in carbon fiber composites recycling

Supramolecular Materials
Plastic recycling, especially the recycling of thermosets, is a crucial step towards improving waste management and achieving economic recycling. Here, a method utilizing non-covalent supramolecular interactions and synergistic hyperbranched structures ...
Yueran He, Yanlin Liu, Zhen Yu, Xiangyu Zhou, Jin Zhu, Zhaobin Tang   +5 more
doaj   +1 more source

Hawthorn Juice Simulation System for Pectin and Polyphenol Adsorption Behavior: Kinetic Modeling Properties and Identification of the Interaction Mechanism

Foods, 2022
The interaction between polyphenols and polysaccharides plays an important role in increasing the turbidity stability of fruit juice and improving unpleasant sensory experiences.
Xuan Zhang, Meijiao Li, Wen Zhao, Zhe Gao, Mengying Wu, Tong Zhou, Chen Wu, Kaixuan Zhou, Xue Han, Qian Zhou   +9 more
doaj   +1 more source

Emerging experimental and computational methods for studying redox‐regulated structural transitions

FEBS Letters, EarlyView.
Redox reactions can reshape proteins and alter how they behave in cells, with important consequences for health and disease. This review explores emerging experimental and computational approaches for discovering these redox‐sensitive protein switches, revealing their structural effects, and predicting their behavior, opening new opportunities to ...
Tasneem Rass, Dana Reichmann, Gábor Erdős   +2 more
wiley   +1 more source

Three dimensional protein assemblies directed by orthogonal non covalent interactions [PDF]

, 2016
In this report, an orthogonal non covalent interaction strategy based on specific recognition between sugar and protein, and host guest interaction, was employed to construct artificial three dimensional 3D protein assemblies in the ...
Yang, Guang., Jiang, M., Ji, Z., Yang, G., Lu, Y., Chen, G., Kochovski, Z.   +6 more
core   +1 more source

Non-Covalent Interactions Atlas Benchmark Data Sets 3: Repulsive Contacts [PDF]

, 2020
The new R739×5 data set from the Non-Covalent Interactions Atlas series (www.nciatlas.org) focuses on repulsive contacts in molecular complexes, covering organic molecules, sulfur, phosphorus, halogens and noble gases.
Kristian, Kříž, Martin, Nováček, Jan, Řezáč   +2 more
core   +1 more source

Global non-covalent SUMO interaction networks reveal SUMO-dependent stabilization of the non-homologous end joining complex [PDF]

, 2021
In contrast to our extensive knowledge on covalent small ubiquitin-like modifier (SUMO) target proteins, we are limited in our understanding of non-covalent SUMO-binding proteins.
Willemstein, E., Ormeno, C.M.P.T., Vertegaal, A.C.O., Ulrich, H.D., Xiao, Z.Y., Claessens, L.A., Ovaa, H., Gonzalez Prieto, R., Eifler-Olivi, K., Laura A. Claessens, Helle D. Ulrich, Román González-Prieto, Zhenyu Xiao, Cami M.P. Talavera Ormeno, Alfred C.O. Vertegaal, Karolin Eifler-Olivi, Huib Ovaa, Edwin Willemstein   +17 more
core   +1 more source