Structure and Energetics of Ligand–Fluorine Interactions with Galectin‐3 Backbone and Side‐Chain Amides: Insight into Solvation Effects and Multipolar Interactions

Systematic Tuning of Fluoro-galectin-3 Interactions Provides Thiodigalactoside Derivatives with Single-Digit nM Affinity and High Selectivity

(2018) Kristoffer Peterson et al.   JOURNAL OF MEDICINAL CHEMISTRY

Galectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition

(2016) Tamara Delaine et al.   CHEMBIOCHEM

Rational Design of Orthogonal Multipolar Interactions with Fluorine in Protein–Ligand Complexes

(2015) Jonathan Pollock et al.   JOURNAL OF MEDICINAL CHEMISTRY

The system E8, a special class of simple polyhedra and gas hydrate structures

(2015) Alexander Talis et al.   ACTA CRYSTALLOGRAPHICA SECTION A

ThePDB_REDOserver for macromolecular structure model optimization

(2014) Robbie P. Joosten et al.   IUCrJ

The macromolecular crystallography beamline I911-3 at the MAX IV laboratory

(2013) Thomas Ursby et al.   JOURNAL OF SYNCHROTRON RADIATION

Refining structures against reflection rank: an alternative metric for electron crystallography

(2012) Alexander S. Eggeman et al.   ACTA CRYSTALLOGRAPHICA SECTION A

The Carbohydrate-Binding Site in Galectin-3 Is Preorganized To Recognize a Sugarlike Framework of Oxygens: Ultra-High-Resolution Structures and Water Dynamics

(2011) Kadhirvel Saraboji et al.   BIOCHEMISTRY

Galectins: regulators of acute and chronic inflammation

(2010) Fu-Tong Liu et al.   Annals of the New York Academy of Sciences

Property-optimized Gaussian basis sets for molecular response calculations

(2010) Dmitrij Rappoport et al.   JOURNAL OF CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Fluorine Bonding — How Does It Work In Protein−Ligand Interactions?

(2009) Peng Zhou et al.   Journal of Chemical Information and Modeling

Structure-Based Drug Design: Exploring the Proper Filling of Apolar Pockets at Enzyme Active Sites

(2008) Martina Zürcher et al.   JOURNAL OF ORGANIC CHEMISTRY