Cell Reports Physical Science, 2022 Summary: The conformational isomerism originated from the rotation of single bonds significantly affects the properties of conjugated molecules.
Yi Zhang +8 more
doaj +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 +3 more
doaj +1 more source
Adsorption and binding dynamics of graphene-supported phospholipid membranes using the QCM-D technique [PDF]
, 2018 We report on the adsorption dynamics of phospholipid membranes on graphene-coated substrates using the quartz crystal microbalance with dissipation monitoring (QCM-D) technique.
Goodwin, S. +5 more
core +2 more sources
Theory and Applications of Covalent Docking in Drug Discovery: Merits and Pitfalls
Molecules, 2015 he present art of drug discovery and design of new drugs is based on suicidal irreversible inhibitors. Covalent inhibition is the strategy that is used to achieve irreversible inhibition.
Hezekiel Mathambo Kumalo +2 more
doaj +1 more source
Modulating molecular interactions in pea protein to improve its functional properties
Journal of Agriculture and Food Research, 2022 Proteins exist in numerous spatial arrangements and are stabilized by various inter- and intra-molecular forces. The objectives of this study were to investigate the functional properties of pea protein isolate in terms of water/oil holding capacity ...
Yanting Shen +3 more
doaj +1 more source
Molecular-Level Switching of Polymer/Nanocrystal Non-Covalent Interactions and Application in Hybrid Solar Cells [PDF]
, 2014 Hy brid composites obtained upon blending conjugated polymers and colloidal inorganic semiconductor nanocrystals are regarded as attractive photo-active materials for optoelectronic applications.
Biasiucci, Mariano +11 more
core +2 more sources
Engineered non-covalent π interactions as key elements for chiral recognition
Nature Communications, 2022 Non-covalent π interactions have been rarely used as a design element for promoting chemical reactions. Here the authors report a Sharpless asymmetric dihydroxylation (SAD)-based kinetic resolution in which a-priori-designed non-covalent forces play a ...
Ming Yu Jin +6 more
doaj +1 more source
Reinforced molecular recognition as an alternative to rigid receptors [PDF]
, 2006 In theory, a perfectly rigid receptor will probably be an unbeatable binder. However, rigidity may not be easy to achieve in practice and it is certainly not Nature’s method to realise high affinity. In many proteins binding affinity is increased through
Otto, Sijbren,
core +1 more source
Non-covalent interactions descriptor using experimental electron densities [PDF]
Acta Crystallographica Section A Foundations of Crystallography, 2011 Non covalent interactions (NCI) play a crucial role in biology (protein-drug recognition) and in the design of new materials (selfassembly). A novel electron density (ED) based descriptor of non covalent interaction was proposed in 2010 by Johnson et al.[1].
G. Saleh +3 more
openaire +5 more sources
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
doaj +1 more source