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Recent advances in enhancing the photodetector performance of 2D materials by combining them with organic thin films

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Effects of Extending the Computational Model on DNA–Protein T-shaped Interactions: The Case of Adenine–Histidine Dimers

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Evaluating common QTAIM and NCI interpretations of the electron density concentration through IQA interaction energies and 1D cross-sections of the electron and deformation density distributions

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On the Importance and Origin of Aromatic Interactions in Chemistry and Biodisciplines

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Theoretical Study on the Chiroptical Optical Properties of Chiral Fullerene C60Derivative

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Landscape ofπ–πand sugar–πcontacts in DNA–protein interactions

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Quantifying the π-Stacking Interactions in Nitroarene Binding Sites of Proteins

Yi An, Jacob W. G. Bloom and Steven E. Wheeler

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Nitrogen: A New Class of π-Bonding Partner in Hetero π-Stacking Interaction

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Uncovering the Networks of Topological Neighborhoods in β-Strand and Amyloid β-Sheet Structures

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DNA–protein π-interactions in nature: abundance, structure, composition and strength of contacts between aromatic amino acids and DNA nucleobases or deoxyribose sugar

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Using Density Functional Theory To Study Neutral and Ionized Stacked Thymine Dimers

Đura Nakarada, Mihajlo Etinski and Milena Petković

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Theoretical investigation of the π+-π+ stacking interactions in substituted pyridinium ion

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Understanding the underlying language code that governs the π–π non-covalent interactions between proteins and DNA

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Significant Strength of Charged DNA–Protein π–π Interactions: A Preliminary Study of Cytosine

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Oxygen–aromatic contacts in intra-strand base pairs: Analysis of high-resolution DNA crystal structures and quantum chemical calculations

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Simultaneous interactions of pyridine with substituted benzene ring and H–F in X-ben⊥pyr···H–F complexes: a cooperative study

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Computational studies of DNA repair: Insights into the function of monofunctional DNA glycosylases in the base excision repair pathway

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Cooperativity in Noncovalent Interactions

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Bacterial production of site specific 13C labeled phenylalanine and methodology for high level incorporation into bacterially expressed recombinant proteins

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Progress in ionomer-based microenvironment engineering of gas diffusion electrodes for electrochemical CO2 reduction

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π-Stacked Dimers of Fluorophenylacetylenes: Role of Dipole Moment

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Associative combination of lone pair–π, π–π and anion–π interactions observed in a ternary system comprising Mg(II)-malonate–2-aminopyridine–hexafluoridophosphate

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New insights into prediction of weak π–π complex association through proton-nuclear magnetic resonance analysis

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Assignment of the absolute configuration of dinuclear zirconium complexes containing two homochiral N atoms using TDDFT calculations of ECD

Yanling Si, Guochun Yang, Minggang Hu and Mei Wang

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Theoretical investigation of the backbone···π and π···π stacking interactions in substituted-benzene||3-methyl-2′-deoxyadenosine: a perspective to the DNA repair

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Evaluating How Discrete Water Molecules Affect Protein–DNA π–π and π+–π Stacking and T-Shaped Interactions: The Case of Histidine-Adenine Dimers

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Self-Assembling ADADA Helices Formed by Hydrogen Bonding

Alexis Taylor, Victoria E. J. Berryman and Russell J. Boyd

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Examination of Tyrosine/Adenine Stacking Interactions in Protein Complexes

Kari L. Copeland, Samuel J. Pellock, James R. Cox, Mauricio L. Cafiero and Gregory S. Tschumper

J. Phys. Chem. B, 2013, 117, 14001
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Origin of the π-stacking induced shifts in absorption spectral bands of the green fluorescent protein chromophore

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In silico Study of Conjugated Nitrogen Heterocycles Affinity in their Biological Complexes

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Synthesis and characterization of four dicyanamide bridged copper(II) complexes with N2O donor tridentate Schiff bases as blocking ligands

Prasanta Kumar Bhaumik, Klaus Harms and Shouvik Chattopadhyay

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A Comparative In Vitro Anticancer Evaluation and In Silico Study of New 1‐(1,3‐Oxazol‐5‐yl)piperidine‐4‐sulfonylamides

Oleksandr Severin, Nataliya Obernikhina, Stepan Pilyo, Maryna Kachaeva, Olexiy Kachkovsky, Oleksandr Kozachenko, Volodymyr Brovarets and Iurii Bodachivskyi

ChemistrySelect, 2024, 9
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Serine and Cysteine π-Interactions in Nature: A Comparison of the Frequency, Structure, and Stability of Contacts Involving Oxygen and Sulfur

Hanzala B. Hussain, Katie A. Wilson and Stacey D. Wetmore

Australian Journal of Chemistry, 2015, 68, 385
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Intermolecular Recognition of the Antimalarial Drug Chloroquine: A Quantum Theory of Atoms in Molecules–Density Functional Theory Investigation of the Hydrated Dihydrogen Phosphate Salt from the 103 K X-ray Structure

Giovanni Macetti, Laura Loconte, Silvia Rizzato, Carlo Gatti and Leonardo Lo Presti

Crystal Growth & Design, 2016, 16, 6043
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A theoretical study to the loliolide molecule and its isomers: a study by circular dichroism, QTAIM, and NMR theoretical methods

Gunar Vingre da Silva Mota and Fabio Luiz Paranhos Costa

J Mol Model, 2021, 27
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Combined Effects of π–π Stacking and Hydrogen Bonding on the (N1) Acidity of Uracil and Hydrolysis of 2′-Deoxyuridine

Jennifer L. Kellie, Lex Navarro-Whyte, Matthew T. Carvey and Stacey D. Wetmore

J. Phys. Chem. B, 2012, 116, 2622
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A Ribokinase Family Conserved Monovalent Cation Binding Site Enhances the MgATP-induced Inhibition in E. coli Phosphofructokinase-2

Mauricio Baez, Ricardo Cabrera, Humberto M. Pereira, Alejandro Blanco, Pablo Villalobos, César A. Ramírez-Sarmiento, Andrés Caniuguir, Victoria Guixé, Richard C. Garratt and Jorge Babul

Biophysical Journal, 2013, 105, 185
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