Advances in nuclear magnetic resonance for drug discovery

Structures of larger proteins, protein-ligand and protein-DNA complexes by multidimensional heteronuclear NMR

(2010) G. Marius Clore et al.   PROTEIN SCIENCE

A Multi-Step NMR Screen for the Identification and Evaluation of Chemical Leads for Drug Discovery

(2009) Kelly Mercier et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Highly automated protein backbone resonance assignment within a few hours: the «BATCH» strategy and software package

(2009) Ewen Lescop et al.   JOURNAL OF BIOMOLECULAR NMR

Robust NMR Screening for Lead Compounds Using Tryptophan-Containing Proteins

(2009) Michal Bista et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Fast Two-Dimensional NMR Spectroscopy of High Molecular Weight Protein Assemblies

(2009) Carlos Amero et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A Metabonomic Study on the Biochemical Effects of Doxorubicin in Rats Using1H-NMR Spectroscopy

(2009) Jong-Chul Park et al.   JOURNAL OF TOXICOLOGY AND ENVIRONMENTAL HEALTH-PART A-CURRENT ISSUES

Fragment-based ligand discovery

(2009) M. Fischer et al.   MOLECULAR INTERVENTIONS

Trapping Moving Targets with Small Molecules

(2009) G. M. Lee et al.   SCIENCE

Communication Breakdown: Protein Dynamics and Drug Design

(2009) Jeffrey W. Peng   STRUCTURE

Dynamic Dysfunction in Dihydrofolate Reductase Results from Antifolate Drug Binding: Modulation of Dynamics within a Structural State

(2009) Randall V. Mauldin et al.   STRUCTURE

Structural Polymorphism of 441-Residue Tau at Single Residue Resolution

(2009) Marco D Mukrasch et al.   PLOS BIOLOGY

1H NMR and UPLC-MSEStatistical Heterospectroscopy: Characterization of Drug Metabolites (Xenometabolome) in Epidemiological Studies

(2008) Derek J. Crockford et al.   ANALYTICAL CHEMISTRY

Web Server Based Complex Mixture Analysis by NMR

(2008) Steven L. Robinette et al.   ANALYTICAL CHEMISTRY

Drug discovery: are productivity metrics inhibiting motivation and creativity?

(2008) Fredrik Ullman et al.   DRUG DISCOVERY TODAY

A case study of lean drug discovery: from project driven research to innovation studios and process factories

(2008) F ULLMAN et al.   DRUG DISCOVERY TODAY

The application of FAST-NMR for the identification of novel drug discovery targets

(2008) R POWERS et al.   DRUG DISCOVERY TODAY

Automated structure determination from NMR spectra

(2008) Peter Güntert   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

Automated sequence-specific protein NMR assignment using the memetic algorithm MATCH

(2008) Jochen Volk et al.   JOURNAL OF BIOMOLECULAR NMR

Automated assignment of NMR chemical shifts using peak-particle dynamics simulation with the DYNASSIGN algorithm

(2008) Roland Schmucki et al.   JOURNAL OF BIOMOLECULAR NMR

Assignment of protein NMR spectra based on projections, multi-way decomposition and a fast correlation approach

(2008) Doroteya K. Staykova et al.   JOURNAL OF BIOMOLECULAR NMR

De novo protein structure generation from incomplete chemical shift assignments

(2008) Yang Shen et al.   JOURNAL OF BIOMOLECULAR NMR

Optimization of random time domain sampling in multidimensional NMR

(2008) Krzysztof Kazimierczuk et al.   JOURNAL OF MAGNETIC RESONANCE

Randomization improves sparse sampling in multidimensional NMR

(2008) Jeffrey C. Hoch et al.   JOURNAL OF MAGNETIC RESONANCE

Identification of Promiscuous Small Molecule Activators in High-Throughput Enzyme Activation Screens

(2008) David R. Goode et al.   JOURNAL OF MEDICINAL CHEMISTRY

Dynamics of Ligand Binding from13C NMR Relaxation Dispersion at Natural Abundance

(2008) John S. Zintsmaster et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metabolite identification via the Madison Metabolomics Consortium Database

(2008) Qiu Cui et al.   NATURE BIOTECHNOLOGY

Trends in disease focus of drug development

(2008) Johan P. E. Karlberg   NATURE REVIEWS DRUG DISCOVERY

Perspectives on NMR in drug discovery: a technique comes of age

(2008) Maurizio Pellecchia et al.   NATURE REVIEWS DRUG DISCOVERY

Recognition Dynamics Up to Microseconds Revealed from an RDC-Derived Ubiquitin Ensemble in Solution

(2008) O. F. Lange et al.   SCIENCE

Metabolic Profiling as a Tool for Understanding Mechanisms of Toxicity

(2008) Christopher J. Clarke et al.   TOXICOLOGIC PATHOLOGY

Applications of Metabolomics in Drug Discovery and Development

(2008) David S Wishart   Drugs in research & development

NMR-based urine analysis in rats: Prediction of proximal tubule kidney toxicity and phospholipidosis

(2008) Kai Lienemann et al.   JOURNAL OF PHARMACOLOGICAL AND TOXICOLOGICAL METHODS

Rapid Protein−Ligand Costructures Using Chemical Shift Perturbations

(2007) Jaime Stark et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

TROSY-based NMR experiments for NMR studies of large biomolecules

(2007) Guang Zhu et al.   PROGRESS IN NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY