Halogen Bonding at the Active Sites of Human Cathepsin L and MEK1 Kinase: Efficient Interactions in Different Environments

Design and synthesis of novel allosteric MEK inhibitor CH4987655 as an orally available anticancer agent

(2011) Yoshiaki Isshiki et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Halogen bonding in halocarbon–protein complexes: a structural survey

(2011) Emilio Parisini et al.   CHEMICAL SOCIETY REVIEWS

Anion Receptors Composed of Hydrogen- and Halogen-Bond Donor Groups: Modulating Selectivity With Combinations of Distinct Noncovalent Interactions

(2011) Michael G. Chudzinski et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural basis for the recognition and cleavage of histone H3 by cathepsin L

(2011) Melanie A. Adams-Cioaba et al.   Nature Communications

XDS

(2010) Wolfgang Kabsch   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Systematic Investigation of Halogen Bonding in Protein-Ligand Interactions

(2010) Leo A. Hardegger et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Fluorine-Protein Interactions and 19F NMR Isotropic Chemical Shifts: An Empirical Correlation with Implications for Drug Design

(2010) Claudio Dalvit et al.   ChemMedChem

Thermodynamics of Halogen Bonding in Solution: Substituent, Structural, and Solvent Effects

(2010) Mohammed G. Sarwar et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Halogen bonding: an electrostatically-driven highly directional noncovalent interaction

(2010) Peter Politzer et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Molecular Recognition at the Active Site of Catechol-O-Methyltransferase: Energetically Favorable Replacement of a Water Molecule Imported by a Bisubstrate Inhibitor

(2009) Manuel Ellermann et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Non-covalent interactions between iodo-perfluorocarbons and hydrogen bond acceptors

(2009) Rafel Cabot et al.   CHEMICAL COMMUNICATIONS

Halogen BondingA Novel Interaction for Rational Drug Design?

(2009) Yunxiang Lu et al.   JOURNAL OF MEDICINAL CHEMISTRY

Free Energies and Entropies of Water Molecules at the Inhibitor−Protein Interface of DNA Gyrase

(2009) Hongtao Yu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Halogen Bonding in Supramolecular Chemistry

(2008) Pierangelo Metrangolo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Beyond the MEK-pocket: Can current MEK kinase inhibitors be utilized to synthesize novel type III NCKIs? Does the MEK-pocket exist in kinases other than MEK?

(2008) Haile Tecle et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

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

Br···O Complexes as Probes of Factors Affecting Halogen Bonding: Interactions of Bromobenzenes and Bromopyrimidines with Acetone

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

CHEMISTRY: Halogen Versus Hydrogen

(2008) P. Metrangolo et al.   SCIENCE