Strength and Character of R–X···π Interactions Involving Aromatic Amino Acid Sidechains in Protein-Ligand Complexes Derived from Crystal Structures in the Protein Data Bank

Halogen bonding in medicinal chemistry: from observation to prediction

(2017) Pui Shing Ho   Future Medicinal Chemistry

Computer Modeling of Halogen Bonds and Other σ-Hole Interactions

(2016) Michal H. Kolář et al.   CHEMICAL REVIEWS

The Halogen Bond

(2016) Gabriella Cavallo et al.   CHEMICAL REVIEWS

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

(2016) Kevin E. Riley et al.   CHEMISTRY-A EUROPEAN JOURNAL

Magnitude and Directionality of Halogen Bond of Benzene with C6F5X, C6H5X, and CF3X (X = I, Br, Cl, and F)

(2016) Seiji Tsuzuki et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Comparative analysis of electrostatic potential maxima and minima on molecular surfaces, as determined by three methods and a variety of basis sets

(2016) Kevin E. Riley et al.   Journal of Computational Science

Comparison of hydrogen bonds, halogen bonds, C H⋯π interactions, and C X⋯π interactions using high-level ab initio methods

(2015) Kevin E. Riley et al.   CHEMICAL PHYSICS LETTERS

Halogen Bonding in Supramolecular Chemistry

(2015) Lydia C. Gilday et al.   CHEMICAL REVIEWS

Crystal Engineering with Iodoethynylnitrobenzenes: A Group of Highly Effective Halogen-Bond Donors

(2015) Christer B. Aakeröy et al.   CRYSTAL GROWTH & DESIGN

Polar Flattening and the Strength of Halogen Bonding

(2015) Robert Sedlak et al.   Journal of Chemical Theory and Computation

Halogen Bonds in Crystal Engineering: Like Hydrogen Bonds yet Different

(2014) Arijit Mukherjee et al.   ACCOUNTS OF CHEMICAL RESEARCH

Levels of symmetry adapted perturbation theory (SAPT). I. Efficiency and performance for interaction energies

(2014) Trent M. Parker et al.   JOURNAL OF CHEMICAL PHYSICS

A solvent-resistant halogen bond

(2014) Craig C. Robertson et al.   Chemical Science

Halogen Interactions in Protein–Ligand Complexes: Implications of Halogen Bonding for Rational Drug Design

(2013) Suman Sirimulla et al.   Journal of Chemical Information and Modeling

Halogen bonds with benzene: An assessment of DFT functionals

(2013) Alessandra Forni et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Are Halogen Bonded Structures Electrostatically Driven?

(2013) Anthony J. Stone   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Exploring the C-X…π Halogen Bonding Motif: An Infrared and Raman Study of the Complexes of CF3X (X = Cl, Br and I) with the Aromatic Model Compounds Benzene and Toluene

(2013) Nick Nagels et al.   MOLECULES

Halogen bonding and other σ-hole interactions: a perspective

(2013) Peter Politzer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Sensitivity of pnicogen, chalcogen, halogen and H-bonds to angular distortions

(2012) Upendra Adhikari et al.   CHEMICAL PHYSICS LETTERS

Halogen-Bonding Interactions with π Systems: CCSD(T), MP2, and DFT Calculations

(2012) Alessandra Forni et al.   CHEMPHYSCHEM

Modulating Supramolecular Reactivity Using Covalent “Switches” on a Pyrazole Platform

(2012) Christer B. Aakeröy et al.   CRYSTAL GROWTH & DESIGN

Sensitivity of noncovalent bonds to intermolecular separation: hydrogen, halogen, chalcogen, and pnicogen bonds

(2012) Steve Scheiner   CRYSTENGCOMM

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

(2012) Rainer Wilcken et al.   JOURNAL OF MEDICINAL CHEMISTRY

Halogen bond tunability II: the varying roles of electrostatic and dispersion contributions to attraction in halogen bonds

(2012) Kevin E. Riley et al.   JOURNAL OF MOLECULAR MODELING

Halogen bonding (X-bonding): A biological perspective

(2012) Matthew R. Scholfield et al.   PROTEIN SCIENCE

Halogen bonding in halocarbon–protein complexes: a structural survey

(2011) Emilio Parisini et al.   CHEMICAL SOCIETY REVIEWS

Strength and Character of Halogen Bonds in Protein–Ligand Complexes

(2011) Kevin E. Riley et al.   CRYSTAL GROWTH & DESIGN

Halogen bond tunability I: the effects of aromatic fluorine substitution on the strengths of halogen-bonding interactions involving chlorine, bromine, and iodine

(2011) Kevin E. Riley et al.   JOURNAL OF MOLECULAR MODELING

How Does Halogen Bonding Behave in Solution? A Theoretical Study Using Implicit Solvation Model

(2011) Yunxiang Lu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Psi4: an open-source ab initio electronic structure program

(2011) Justin M. Turney et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Wavefunction methods for noncovalent interactions

(2011) Edward G. Hohenstein et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Directional Weak Intermolecular Interactions: σ-Hole Bonding

(2010) Jane S. Murray et al.   AUSTRALIAN JOURNAL OF CHEMISTRY

Nonbonding interactions of organic halogens in biological systems: implications for drug discovery and biomolecular design

(2010) Yunxiang Lu et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Evidence for CCl/CBr⋅⋅⋅π Interactions as an Important Contribution to Protein-Ligand Binding Affinity

(2009) Hans Matter et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Investigations into the Nature of Halogen Bonding Including Symmetry Adapted Perturbation Theory Analyses

(2008) Kevin E. Riley et al.   Journal of Chemical Theory and Computation

Cl-π interactions in protein-ligand complexes

(2008) Yumi N. Imai et al.   PROTEIN SCIENCE