NMR-based analysis of protein–ligand interactions

Discovery of benzothiazole guanidines as novel inhibitors of thrombin and trypsin IV

(2012) Michael Karle et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Binding Evaluation of Fragment-Based Scaffolds for Probing Allosteric Enzymes

(2012) Isabelle Krimm et al.   JOURNAL OF MEDICINAL CHEMISTRY

Recent developments and applications of saturation transfer difference nuclear magnetic resonance (STD NMR) spectroscopy

(2012) Jane L. Wagstaff et al.   Molecular BioSystems

INPHARMA-based identification of ligand binding site in fragment-based drug design

(2012) Isabelle Krimm   MedChemComm

STD and trNOESY NMR Study of Receptor-Ligand Interactions in Living Cancer Cells

(2011) Donatella Potenza et al.   CHEMBIOCHEM

A Solution NMR Study of the Interactions of Oligomannosides and the Anti-HIV-1 2G12 Antibody Reveals Distinct Binding Modes for Branched Ligands*

(2011) Pedro M. Enríquez-Navas et al.   CHEMISTRY-A EUROPEAN JOURNAL

WaterLOGSY NMR Experiments in Conjunction with Molecular-Dynamics Simulations Identify Immobilized Water Molecules That Bridge Peptide Mimic MDWNMHAA to Anticarbohydrate Antibody SYA/J6

(2011) Monica G. Szczepina et al.   CHEMISTRY-A EUROPEAN JOURNAL

Targeting Norovirus Infection-Multivalent Entry Inhibitor Design Based on NMR Experiments

(2011) Christoph Rademacher et al.   CHEMISTRY-A EUROPEAN JOURNAL

Chemical and structural lessons from recent successes in protein–protein interaction inhibition (2P2I)

(2011) Xavier Morelli et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

Applications of saturation transfer difference NMR in biological systems

(2011) Anirban Bhunia et al.   DRUG DISCOVERY TODAY

STD-NMR: application to transient interactions between biomolecules—a quantitative approach

(2011) Jesus Angulo et al.   EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS

NMR studies of protein structure and dynamics – A look backwards and forwards

(2011) Lewis E. Kay   JOURNAL OF MAGNETIC RESONANCE

SAR by Interligand Nuclear Overhauser Effects (ILOEs) Based Discovery of Acylsulfonamide Compounds Active against Bcl-xLand Mcl-1

(2011) Michele F. Rega et al.   JOURNAL OF MEDICINAL CHEMISTRY

Recent developments in protein–ligand affinity mass spectrometry

(2010) Niels Jonker et al.   ANALYTICAL AND BIOANALYTICAL CHEMISTRY

An Effective Pulse Sequence for Detecting a Ligand Binding with a Protein Receptor Using a WET Sequence and the Repeated Z-Filters

(2010) Kazuo FURIHATA et al.   ANALYTICAL SCIENCES

Drug Design for G-Protein-Coupled Receptors by a Ligand-Based NMR Method

(2010) Stefan Bartoschek et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

The Chemical Basis of Pharmacology

(2010) Michael J. Keiser et al.   BIOCHEMISTRY

Ligand-Receptor Binding Affinities from Saturation Transfer Difference (STD) NMR Spectroscopy: The Binding Isotherm of STD Initial Growth Rates

(2010) Jesús Angulo et al.   CHEMISTRY-A EUROPEAN JOURNAL

Rational approaches to targeted polypharmacology: creating and navigating protein–ligand interaction networks

(2010) James T Metz et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

NMR Screening and Hit Validation in Fragment Based Drug Discovery

(2010) Ramon Campos-Olivas   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Ligand Specificity in Fragment-Based Drug Design

(2010) Sarah Barelier et al.   JOURNAL OF MEDICINAL CHEMISTRY

Optimization of the Interligand Overhauser Effect for Fragment Linking: Application to Inhibitor Discovery againstMycobacterium tuberculosisPantothenate Synthetase

(2010) Pawel Sledz et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Aroma WaterLOGSY: a fast and sensitive screening tool for drug discovery

(2010) Jun Hu et al.   MAGNETIC RESONANCE IN CHEMISTRY

Clean STD-NMR spectrum for improved detection of ligand-protein interactions at low concentration of protein

(2010) Youlin Xia et al.   MAGNETIC RESONANCE IN CHEMISTRY

Scoring functions and their evaluation methods for protein–ligand docking: recent advances and future directions

(2010) Sheng-You Huang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Functional Cell-Based Screening and Saturation Transfer Double-Difference NMR Have Identified Haplosamate A as a Cannabinoid Receptor Agonist

(2009) Alban Pereira et al.   ACS Chemical Biology

STD-NMR Studies Suggest that Two Acceptor Substrates for GlfT2, a Bifunctional Galactofuranosyltransferase Required for the Biosynthesis ofMycobacterium tuberculosisArabinogalactan, Compete for the Same Binding Site

(2009) Monica G. Szczepina et al.   CHEMBIOCHEM

Biophysical techniques for ligand screening and drug design

(2009) Jean-Paul Renaud et al.   CURRENT OPINION IN PHARMACOLOGY

High-throughput crystallography for structural genomics☆

(2009) Andrzej Joachimiak   CURRENT OPINION IN STRUCTURAL BIOLOGY

Time efficient detection of protein–ligand interactions with the polarization optimized PO-WaterLOGSY NMR experiment

(2009) Alvar D. Gossert et al.   JOURNAL OF BIOMOLECULAR NMR

The INPHARMA technique for pharmacophore mapping: A theoretical guide to the method

(2009) Julien Orts et al.   JOURNAL OF MAGNETIC RESONANCE

Group epitope mapping considering relaxation of the ligand (GEM-CRL): Including longitudinal relaxation rates in the analysis of saturation transfer difference (STD) experiments

(2009) Sebastian Kemper et al.   JOURNAL OF MAGNETIC RESONANCE

Application of WET sequence for the detection of the ligand signals resonating close to water

(2009) Kazuo Furihata et al.   MAGNETIC RESONANCE IN CHEMISTRY

The rise of fragment-based drug discovery

(2009) Christopher W. Murray et al.   Nature Chemistry

Saturation transfer difference nuclear magnetic resonance study on the specific binding of ligand to protein

(2008) Zhusheng Ji et al.   ANALYTICAL BIOCHEMISTRY

Crystallography-Independent Determination of Ligand Binding Modes

(2008) Julien Orts et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Saturation Transfer Difference (STD) NMR Spectroscopy Characterization of Dual Binding Mode of a Mannose Disaccharide to DC-SIGN

(2008) Jesús Angulo et al.   CHEMBIOCHEM

Evaluation of Solvent Accessibility Epitopes for Different Dehydrogenase Inhibitors

(2008) Christian Ludwig et al.   ChemMedChem

Solution NMR structure determination of proteins revisited

(2008) Martin Billeter et al.   JOURNAL OF BIOMOLECULAR NMR

NMR Experiments Reveal the Molecular Basis of Receptor Recognition by a Calicivirus

(2008) Christoph Rademacher et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

SALMON: Solvent Accessibility, Ligand binding, and Mapping of ligand Orientation by NMR Spectroscopy

(2007) Christian Ludwig et al.   JOURNAL OF MEDICINAL CHEMISTRY