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References from Analysis of cation‐π interactions using quantum chemistry and statistical analysis of high‐resolution protein structures. Local targets link to admitted publications; unresolved targets remain external evidence.
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Unresolved reference
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Cation–π interactions in protein‐ligand binding: theory and data‐mining reveal different roles for lysine and arginine
10.1039/c7sc04905f · 2018 · External reference
Nicotine binding to brain receptors requires a strong cation–π interaction
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Binding of acetylcholine and Tetramethylammonium to a Cyclophane receptor: Anion's contribution to the cation–π Interaction
10.1021/ja025884w · 2002 · External reference
Mechanism of biomolecular recognition of trimethyllysine by the fluorinated aromatic cage of KDM5A PHD3 finger
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Cation‐π interactions in structural biology
10.1073/pnas.96.17.9459 · 1999 · External reference
Contribution of cation‐π Interactions to protein stability
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Metal ligand aromatic cation‐π interactions in metalloproteins: ligands coordinated to metal interact with aromatic residues
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The Cation‐π interaction in Small‐molecule catalysis
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Structure and function of a squalene cyclase
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The cation‐π interaction in chemistry and biology
10.1021/acs.chemrev.4c00707 · 2025 · External reference
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10.1021/ja00265a036 · 1986 · External reference
Cation‐π interactions in chemistry and biology: a new view of benzene, Phe, Tyr, and Trp
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Cation‐pi interactions in aromatics of biological and medicinal interest: electrostatic potential surfaces as a useful qualitative guide
10.1073/pnas.93.20.10566 · 1996 · External reference
Cation‐π Interactions in simple aromatics: electrostatics provide a predictive tool
10.1021/ja9539608 · 1996 · External reference
Absolute binding energies of alkali‐metal cation complexes with benzene determined by threshold collision‐induced dissociation experiments and ab initio theory
10.1021/jp002652f · 2000 · External reference
Cation‐π interactions studied in a model coiled‐coil peptide
10.1110/ps.04702104 · 2004 · External reference
Water and the cation‐π Interaction
10.1021/jacs.1c06510 · 2021 · External reference
Environmental modulation of protein Cation‐π interactions
10.1021/ja068957a · 2007 · External reference
Cation‐π interactions at the active site of factor Xa: dramatic enhancement upon stepwise N‐alkylation of ammonium ions
10.1002/anie.200804695 · 2009 · External reference
Quantification of Cation‐π interactions in Protein‐Ligand complexes: crystal‐structure analysis of factor Xa bound to a quaternary ammonium ion ligand
10.1002/anie.200500883 · 2005 · External reference
Substituent effects on aromatic interactions in water
10.1039/d3sc01027a · 2023 · External reference
Aromatic residues in proteins: Re‐evaluating the geometry and energetics of pi‐pi, cation‐pi, and CH‐pi interactions
10.1021/acs.jpcb.4c04774 · 2024 · External reference
Histidine in proteins: pH‐dependent interplay between pi‐pi, cation‐pi, and CH‐pi interactions
10.1021/acs.jctc.4c00606 · 2024 · External reference
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Cation‐π Interactions in proteins: can simple models provide an accurate description?
10.1021/ja990914p · 1999 · External reference
Cation‐π interactions and their functional roles in membrane proteins
10.1016/j.jmb.2021.167035 · 2021 · External reference
Cation‐aromatic database
10.1002/prot.21202 · 2007 · External reference
CIPDB: a biological structure databank for studying cation and π interactions
10.1016/j.drudis.2023.103546 · 2023 · External reference
Mining anion‐aromatic interactions in the protein data Bank
10.1039/d2sc00763k · 2022 · External reference
Cross‐talk of cation‐pi interactions with electrostatic and aromatic interactions: a salt‐dependent trade‐off in biomolecular condensates
10.1021/acs.jpclett.3c01642 · 2023 · External reference
Towards the understanding of halogenation in peptide hydrogels: a quantum chemical approach
10.1039/d1ma00455g · 2021 · External reference
Stacking and T‐shape competition in aromatic‐aromatic amino acid interactions
10.1021/ja0121639 · 2002 · External reference
Comprehensive energy analysis for various types of π‐interaction
10.1021/ct800471b · 2009 · External reference
Unconventional ionic hydrogen bonds. 2. NH…π complexes of onium ions with olefins and benzene derivatives
10.1021/ja00288a034 · 1985 · External reference
Probing non‐covalent interactions with a second generation energy decomposition analysis using absolutely localized molecular orbitals
10.1039/c6cp03784d · 2016 · External reference
NCIPLOT and the analysis of noncovalent interactions using the reduced density gradient
10.1002/wcms.1497 · 2021 · External reference
Scrutinizing ion‐π and ion‐σ interactions using the noncovalent index and energy decomposition analysis
10.1016/j.comptc.2014.09.033 · 2015 · External reference
Cation‐π interactions contribute to hydrophobic humic acid removal for the control of hydraulically irreversible membrane fouling
10.1021/acs.est.2c07593 · 2023 · External reference
PISCES: a protein sequence culling server
10.1093/bioinformatics/btg224 · 2003 · External reference
Aliphatic–aromatic stacking interactions in cyclohexane–benzene are stronger than aromatic–aromatic interaction in the benzene dimer
10.1039/c6cp03734h · 2016 · External reference
The dielectric constant of a folded protein
10.1002/bip.360251106 · 1986 · External reference
Protein dielectric constants determined from NMR chemical shift perturbations
10.1021/ja406995j · 2013 · External reference
Through‐space effects of substituents dominate molecular electrostatic potentials of substituted Arenes
10.1021/ct900344g · 2009 · External reference
Chemical basis for the recognition of trimethyllysine by epigenetic reader proteins
10.1038/ncomms9911 · 2015 · External reference
Trimethyllysine reader proteins exhibit widespread charge‐agnostic binding via different mechanisms to cationic and neutral ligands
10.1021/jacs.3c10031 · 2024 · External reference
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10.1063/5.0055522 · 2021 · External reference
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10.1007/s00214-007-0310-x · 2008 · External reference
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10.1063/1.456153 · 1989 · External reference
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10.1063/1.464303 · 1993 · External reference
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10.1002/jcc.24761 · 2017 · External reference
Efficient and accurate double‐hybrid‐meta‐GGA density Functionals‐evaluation with the extended GMTKN30 database for General Main group thermochemistry, kinetics, and noncovalent interactions
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State of the art in counterpoise theory
10.1021/cr00031a007 · 1994 · External reference
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10.1063/1.3382344 · 2010 · External reference
A generally applicable atomic‐charge dependent London dispersion correction
10.1063/1.5090222 · 2019 · External reference
Benchmarking London dispersion corrected density functional theory for noncovalent ion‐π interactions
10.1039/d1cp01333e · 2021 · External reference
ωB97X‐V: a 10‐parameter, range‐separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival‐of‐the‐fittest strategy
10.1039/c3cp54374a · 2014 · External reference
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Unresolved reference
1994 · External reference
Unresolved reference
2019 · External reference
VMD: visual molecular dynamics
10.1016/0263-7855(96)00018-5 · 1996 · External reference
NCIPLOT4: fast, robust, and quantitative analysis of noncovalent interactions
10.1021/acs.jctc.0c00063 · 2020 · External reference
Surface electrostatics, reduction potentials, and the internal dielectric constant of proteins
10.1021/ja00024a087 · 1991 · External reference
A theoretical study of the dielectric constant of protein
10.1093/protein/2.3.177 · 1988 · External reference
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10.1021/ja960884f · 1996 · External reference
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10.1021/acs.jctc.7b00756 · 2018 · External reference
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10.1002/open.202000108 · 2020 · External reference
What are the dielectric ‘constants’ of proteins and how to validate electrostatic models?
10.1002/prot.1106 · 2001 · External reference
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