Improvement of Ligand Affinity and Thermodynamic Properties by NMR-Based Evaluation of Local Dynamics and Surface Complementarity in the Receptor-Bound State

Is there a link between selectivity and binding thermodynamics profiles?

(2015) Ákos Tarcsay et al.   DRUG DISCOVERY TODAY

Applying thermodynamic profiling in lead finding and optimization

(2015) Gerhard Klebe   NATURE REVIEWS DRUG DISCOVERY

Allosteric enhancement of MAP kinase p38α's activity and substrate selectivity by docking interactions

(2014) Yuji Tokunaga et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Correlating Structure and Energetics in Protein-Ligand Interactions: Paradigms and Paradoxes

(2013) Stephen F. Martin et al.   Annual Review of Biochemistry

Conformational dynamics and thermodynamics of protein–ligand binding studied by NMR relaxation

(2012) Mikael Akke   BIOCHEMICAL SOCIETY TRANSACTIONS

Methyl Effects on Protein–Ligand Binding

(2012) Cheryl S. Leung et al.   JOURNAL OF MEDICINAL CHEMISTRY

Specificity of Linear Motifs That Bind to a Common Mitogen-Activated Protein Kinase Docking Groove

(2012) A. Garai et al.   Science Signaling

The Methylation Effect in Medicinal Chemistry

(2011) Eliezer J. Barreiro et al.   CHEMICAL REVIEWS

An Optimized Relaxation-Based Coherence Transfer NMR Experiment for the Measurement of Side-Chain Order in Methyl-Protonated, Highly Deuterated Proteins

(2011) Hechao Sun et al.   JOURNAL OF PHYSICAL CHEMISTRY B

The role of conformational entropy in molecular recognition by calmodulin

(2010) Michael S Marlow et al.   Nature Chemical Biology

Molecular Basis for Drug Resistance in HIV-1 Protease

(2010) Akbar Ali et al.   Viruses-Basel

Transforming fragments into candidates: small becomes big in medicinal chemistry

(2009) Gerdien E. de Kloe et al.   DRUG DISCOVERY TODAY

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

(2008) O. F. Lange et al.   SCIENCE