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A Biological Take on Halogen Bonding and Other Non‐Classical Non‐Covalent Interactions

https://doi.org/10.1002/tcr.202100076

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Halogen Bonding versus Hydrogen Bonding in Driving Self-Assembly Processes

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Halogen Bonding versus Hydrogen Bonding in Driving Self-Assembly Processes

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Halogen Bonding: A Paradigm in Supramolecular Chemistry

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Halogen Bonding in Solution

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Exploring the (Very Flat) Potential Energy Landscape of R−Br⋅⋅⋅π Interactions with Accurate CCSD(T) and SAPT Techniques

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Molecular mechanical study of halogen bonding in drug discovery

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Halogen bonding (X‐bonding): A biological perspective

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Directional tendencies of halogen and hydrogen bonds

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Site-Specific Incorporation of Unnatural Amino Acids as Probes for Protein Conformational Changes

inferredcites →https://doi.org/10.1007/s00894-006-0130-2openalex-snapshot

Halogen bonding: the σ-hole

inferredcites →https://doi.org/10.1007/s00894-008-0386-9openalex-snapshot

Expansion of the σ-hole concept

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Determining thermodynamic properties of molecular interactions from single crystal studies

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The Inherent Properties of DNA Four-way Junctions: Comparing the Crystal Structures of Holliday Junctions

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A mechanism for gene conversion in fungi

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Hydrogen Bond Enhanced Halogen Bonds: A Synergistic Interaction in Chemistry and Biochemistry

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Structure–Energy Relationships of Halogen Bonds in Proteins

inferredcites →https://doi.org/10.1021/acs.biochem.8b00603openalex-snapshot

Increasing Enzyme Stability and Activity through Hydrogen Bond-Enhanced Halogen Bonds

inferredcites →https://doi.org/10.1021/acs.chemrev.5b00560openalex-snapshot

Computer Modeling of Halogen Bonds and Other σ-Hole Interactions

inferredcites →https://doi.org/10.1021/acs.jmedchem.5b00997openalex-snapshot

Computational Tools To Model Halogen Bonds in Medicinal Chemistry

inferredcites →https://doi.org/10.1021/acs.jpcb.7b04198openalex-snapshot

Do Halogen–Hydrogen Bond Donor Interactions Dominate the Favorable Contribution of Halogens to Ligand–Protein Binding?

inferredcites →https://doi.org/10.1021/acscatal.9b02894openalex-snapshot

Catalysis of Organic Reactions through Halogen Bonding

inferredcites →https://doi.org/10.1021/bi0346603openalex-snapshot

Effect of Sequence on the Conformation of DNA Holliday Junctions

inferredcites →https://doi.org/10.1021/bi400590hopenalex-snapshot

Enthalpy–Entropy Compensation in Biomolecular Halogen Bonds Measured in DNA Junctions

inferredcites →https://doi.org/10.1021/cg200991vopenalex-snapshot

Assaying the Energies of Biological Halogen Bonds

inferredcites →https://doi.org/10.1021/ci400539qopenalex-snapshot

Halogen Bond: Its Role beyond Drug–Target Binding Affinity for Drug Discovery and Development

inferredcites →https://doi.org/10.1021/ci5007118openalex-snapshot

Evaluating the Potential of Halogen Bonding in Molecular Design: Automated Scaffold Decoration Using the New Scoring Function XBScore

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Redox Proteomics: Chemical Principles, Methodological Approaches and Biological/Biomedical Promises

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Scalable Anisotropic Shape and Electrostatic Models for Biological Bromine Halogen Bonds

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Halogen-Enriched Fragment Libraries as Leads for Drug Rescue of Mutant p53

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Utilization of Halogen Bond in Lead Optimization: A Case Study of Rational Design of Potent Phosphodiesterase Type 5 (PDE5) Inhibitors

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Principles and Applications of Halogen Bonding in Medicinal Chemistry and Chemical Biology

inferredcites →https://doi.org/10.1021/jp509003ropenalex-snapshot

Force Field Model of Periodic Trends in Biomolecular Halogen Bonds

inferredcites →https://doi.org/10.1038/78985openalex-snapshot

The extended and eccentric E-DNA structure induced by cytosine methylation or bromination.

inferredcites →https://doi.org/10.1038/nchem.112openalex-snapshot

Halogen bonds as orthogonal molecular interactions to hydrogen bonds

inferredcites →https://doi.org/10.1038/s41467-020-20405-8openalex-snapshot

Potent DNA gyrase inhibitors bind asymmetrically to their target using symmetrical bifurcated halogen bonds

inferredcites →https://doi.org/10.1039/c0cc01094dopenalex-snapshot

Unexpected “amphoteric” character of the halogen bond: the charge density study of the co-crystal of N-methylpyrazine iodide with I2

inferredcites →https://doi.org/10.1039/c6cp02219gopenalex-snapshot

Electrochemical activation of a tetrathiafulvalene halogen bond donor in solution

inferredcites →https://doi.org/10.1039/c7fd00199aopenalex-snapshot

Halogen bonding, chalcogen bonding, pnictogen bonding, tetrel bonding: origins, current status and discussion

inferredcites →https://doi.org/10.1039/c8sc01973hopenalex-snapshot

The intramolecular hydrogen bonded–halogen bond: a new strategy for preorganization and enhanced binding

inferredcites →https://doi.org/10.1073/pnas.0407607101openalex-snapshot

Halogen bonds in biological molecules

inferredcites →https://doi.org/10.1073/pnas.0409455102openalex-snapshot

How sequence defines structure: A crystallographic map of DNA structure and conformation

inferredcites →https://doi.org/10.1073/pnas.0610531104openalex-snapshot

Directing macromolecular conformation through halogen bonds

inferredcites →https://doi.org/10.1073/pnas.37.4.205openalex-snapshot

The structure of proteins: Two hydrogen-bonded helical configurations of the polypeptide chain

inferredcites →https://doi.org/10.1073/pnas.97.8.3971openalex-snapshot

The Holliday junction in an inverted repeat DNA sequence: Sequence effects on the structure of four-way junctions

inferredcites →https://doi.org/10.1093/nar/28.1.235openalex-snapshot

The Protein Data Bank

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Structural and genetic analysis of the folding and function of T4 lysozyme

inferredcites →https://doi.org/10.1107/s0108768103011510openalex-snapshot

Halogen-bond geometry: a crystallographic database investigation of dihalogen complexes

inferredcites →https://doi.org/10.1107/s2052520617003109openalex-snapshot

Relationships between hydrogen bonds and halogen bonds in biological systems

inferredcites →https://doi.org/10.1128/aac.02635-18openalex-snapshot

Halogen Bond Interactions of Novel HIV-1 Protease Inhibitors (PI) (GRL-001-15 and GRL-003-15) with the Flap of Protease Are Critical for Their Potent Activity against Wild-Type HIV-1 and Multi-PI-Resistant Variants

inferredcites →https://doi.org/10.1142/9336openalex-snapshot

Nobel Lectures in Chemistry (2006–2010)

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EXPANDING THE GENETIC CODE

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Eosinophils generate brominating oxidants in allergen-induced asthma

inferredcites →https://doi.org/10.1186/s13321-016-0139-1openalex-snapshot

AutoDock VinaXB: implementation of XBSF, new empirical halogen bond scoring function, into AutoDock Vina

inferredcites →https://doi.org/10.1186/s41021-016-0045-9openalex-snapshot

Mutagenic consequences of cytosine alterations site-specifically embedded in the human genome

inferredcites →https://doi.org/10.1201/9780429258787openalex-snapshot

The Molecules of Life

inferredcites →https://doi.org/10.2174/156802607781696846openalex-snapshot

The Role of Halogen Bonding in Inhibitor Recognition and Binding by Protein Kinases

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Embracing the Diversity of Halogen Bonding Motifs in Fragment-Based Drug Discovery—Construction of a Diversity-Optimized Halogen-Enriched Fragment Library

inferredcites →https://doi.org/10.4155/fmc-2017-0052openalex-snapshot

Halogen Bonding in Medicinal Chemistry: From Observation to Prediction

inferredcites →https://doi.org/10.4155/fmc.14.20openalex-snapshot

Halogen-Enriched Fragment Libraries as Chemical Probes for Harnessing Halogen Bonding in Fragment-Based Lead Discovery

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Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Modulation of supramolecular assembly and thermal stability in dinuclear iron(III) Schiff base complexes via halogen substitution

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Single-site bromination as a minimal structural intervention for drastically enhanced thermal stability in Co(III) schiff-base complexes

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Quinoline-Carbonitriles in Halogen Bonded Cocrystals: Does the Position Matter?

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Halogen Bonding in 3-Iodopyridine·Organoiodine Cocrystals: A Study of Diverse Crystal Growth Approaches

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Recent Progress in Cyclic Aryliodonium Chemistry: Syntheses and Applications

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Electrophilicity of Anionic Iodide Ligands: Platinum(IV)-Induced Halogen Bond Donor Ability

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Polarization Upends Convention: Halogen Bonding Propensities of Main Group Halides

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Fluorinated Protein–Ligand Complexes: A Computational Perspective

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Hydrogen Bond-Enhanced Halogen Bonding Organocatalyst with C(sp3)–Br and Sulfoxide Moieties

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The Realm of Unconventional Noncovalent Interactions in Proteins: Their Significance in Structure and Function

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Biological halogen bonds in protein–ligand complexes: a combined QTAIM and NCIPlot study in four representative cases

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Robust formation of discrete non-covalent pyrene dimers in an amorphous film by strong π–π interaction

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