Computational design of environmental sensors for the potent opioid fentanyl

Structure-based discovery of opioid analgesics with reduced side effects

(2016) Aashish Manglik et al.   NATURE

The Recognition of Identical Ligands by Unrelated Proteins

(2015) Sarah Barelier et al.   ACS Chemical Biology

A general strategy to construct small molecule biosensors in eukaryotes

(2015) Justin Feng et al.   eLife

Buried chloride stereochemistry in the Protein Data Bank

(2014) Oliviero Carugo   BMC STRUCTURAL BIOLOGY

Computational design of ligand-binding proteins with high affinity and selectivity

(2013) Christine E. Tinberg et al.   NATURE

Towards automated crystallographic structure refinement withphenix.refine

(2012) Pavel V. Afonine et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

A fragment-based approach to the SAMPL3 Challenge

(2012) John L. Kulp et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Crystal structure of the µ-opioid receptor bound to a morphinan antagonist

(2012) Aashish Manglik et al.   NATURE

Linking Crystallographic Model and Data Quality

(2012) P. A. Karplus et al.   SCIENCE

Enrich: software for analysis of protein function by enrichment and depletion of variants

(2011) Douglas M. Fowler et al.   BIOINFORMATICS

LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery

(2011) Roman A. Laskowski et al.   Journal of Chemical Information and Modeling

Two Solutions for the Same Problem: Multiple Binding Modes of Pyrrolidine-Based HIV-1 Protease Inhibitors

(2011) Andreas Blum et al.   JOURNAL OF MOLECULAR BIOLOGY

Analysis of protein-ligand interactions by fluorescence polarization

(2011) Ana M Rossi et al.   Nature Protocols

Uniform assessment and ranking of opioid Mu receptor binding constants for selected opioid drugs

(2011) Donna A. Volpe et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

Computational Design of Proteins Targeting the Conserved Stem Region of Influenza Hemagglutinin

(2011) S. J. Fleishman et al.   SCIENCE

XDS

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

Features and development ofCoot

(2010) P. Emsley et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

PHENIX: a comprehensive Python-based system for macromolecular structure solution

(2010) Paul D. Adams et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

An improved yeast transformation method for the generation of very large human antibody libraries

(2010) Lorenzo Benatuil et al.   PROTEIN ENGINEERING DESIGN & SELECTION

electronic Ligand Builder and Optimization Workbench(eLBOW): a tool for ligand coordinate and restraint generation

(2009) Nigel W. Moriarty et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

MolProbity: all-atom structure validation for macromolecular crystallography

(2009) Vincent B. Chen et al.   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

RosettaHoles: Rapid assessment of protein core packing for structure prediction, refinement, design and validation

(2009) Will Sheffler et al.   PROTEIN SCIENCE

Crystallographic analysis shows substrate binding at the −3 to +1 active-site subsites and at the surface of glycoside hydrolase family 11 endo-1,4-β-xylanases

(2008) Elien Vandermarliere et al.   BIOCHEMICAL JOURNAL