Results 41 to 50 of about 2,891,661 (273)

Exploring Epigenetic Marks by Analysis of Noncovalent Interactions [PDF]

ChemBioChem, 2020
AbstractEpigenetic marks are modest chemical modifications on DNA and histone proteins that regulate the activation or silencing of genes through modulation of the intermolecular interactions between the DNA strands and the protein machinery. The process is complex and not always well understood.
Judith Millan, Alberto Lesarri, José A. Fernández, Rodrigo Martínez   +3 more
openaire   +3 more sources

Noncovalent Interaction Analysis in Fluctuating Environments [PDF]

Journal of Chemical Theory and Computation, 2013
Noncovalent interactions play a central role in many chemical and biological systems. In a previous study, Johnson et al developed a NonCovalent Interaction (NCI) index to characterize and visualize different types of weak interactions. To apply the NCI analysis to fluctuating environments as in solution phase, we here develop a new Averaged ...
Pan, Wu, Robin, Chaudret, Xiangqian, Hu, Weitao, Yang   +3 more
openaire   +2 more sources

The Importance of CH···X (X = O, π) Interaction of a New Mixed Ligand Cu(II) Coordination Polymer: Structure, Hirshfeld Surface and Theoretical Studies

Crystals, 2018
In this study, a new equimolar (1:1:1) mixed ligand Cu(II) polymer, [Cu(IDA)(ImP)]n (1) with iminodiacetato (IDA) and imidazo[1,2-a]-pyridine (ImP) was synthesized and characterized by single crystal X-ray diffraction analysis.
Saikat Kumar Seth
doaj   +1 more source

Ion−π interactions for constructing organic luminescent materials

Aggregate, 2022
Organic luminescent materials are one of the research hotspots worldwide. The luminescent efficiency of these materials can be tuned by introducing noncovalent interactions.
Guoyu Jiang, Jia Yu, Jianguo Wang, Ben Zhong Tang   +3 more
doaj   +1 more source

Noncovalent PEGylation via Lectin–Glycopolymer Interactions [PDF]

Biomacromolecules, 2016
La PEGylation, la modification covalente des protéines avec le polyéthylène glycol, est une technique abondamment utilisée pour améliorer la pharmacocinétique des protéines thérapeutiques. L'inconvénient de cette méthodologie est que le PEG fixé de manière covalente peut entraver l'activité biologique (par exemple, une capacité réduite de liaison aux ...
Paweł M. Antonik, Ahmed M. Eissa, Adam Round, Neil R. Cameron, Peter B. Crowley   +4 more
openaire   +5 more sources

Mass spectrometry study of noncovalent complexes formation of antibiotic cycloserine with N-acetyl-D-glucosamine and ascorbic acid

Біофізичний вісник, 2020
Background: While antibiotic cycloserine (CYS) is widely applied in the treatment of tuberculosis, our knowledge of the drug intermolecular interactions with targeting biomolecules and other drugs remains incomplete.
V. A. Pashynska, M. V. Kosevich, A. Gomory   +2 more
doaj   +1 more source

Chalcogen bond-guided conformational isomerization enables catalytic dynamic kinetic resolution of sulfoxides

Nature Communications, 2022
Conformational isomerization of organic molecules can be guided by noncovalent interactions. Here, the authors report the synthesis of chiral sulfoxides catalyzed by N-heterocyclic carbenes; intramolecular chalcogen bonding interactions are key for ...
Jianjian Liu, Mali Zhou, Rui Deng, Pengcheng Zheng, Yonggui Robin Chi   +4 more
doaj   +1 more source

Protein-induced changes in DNA structure and dynamics observed with noncovalent site-directed spin-labeling and PELDOR [PDF]

, 2012
Site-directed spin labeling and pulsed electron–electron double resonance (PELDOR or DEER) have previously been applied successfully to study the structure and dynamics of nucleic acids. Spin labeling nucleic acids at specific sites requires the covalent
Reginsson, Gunnar Widtfeldt, Rouillon, Christophe, Schiemann, Olav, Sigurdsson, Snorri T, White, Malcolm F, Shelke, Sandip   +5 more
core   +1 more source

Structural insights into an engineered feruloyl esterase with improved MHET degrading properties

FEBS Letters, EarlyView.
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa, Konstantinos Makryniotis, Theofani‐Iosifina Sousani, Evangelos Topakas, Vangelis Daskalakis, Maria Dimarogona   +5 more
wiley   +1 more source

Hydrogen-Mediated Noncovalent Interactions in Solids: What Can NMR Crystallography Tell About?

Molecules, 2020
Hydrogen atoms play a crucial role in the aggregation of organic (bio)molecules through diverse number of noncovalent interactions that they mediate, such as electrostatic in proton transfer systems, hydrogen bonding, and CH–π interactions, to mention ...
Ioana Georgeta Grosu, Xenia Filip, Maria O. Miclăuș, Claudiu Filip   +3 more
doaj   +1 more source