Conformational adaptation in drug–target interactions and residence time

A Dynamic Knockout Reveals That Conformational Fluctuations Influence the Chemical Step of Enzyme Catalysis

(2011) G. Bhabha et al.   SCIENCE

Ligand binding assays at equilibrium: validation and interpretation

(2010) Edward C. Hulme et al.   BRITISH JOURNAL OF PHARMACOLOGY

Drug–target residence time: critical information for lead optimization

(2010) Hao Lu et al.   CURRENT OPINION IN CHEMICAL BIOLOGY

The dynamics of drug-target interactions: drug-target residence time and its impact on efficacy and safety

(2010) Robert A Copeland   Expert Opinion on Drug Discovery

Dynamics connect substrate recognition to catalysis in protein kinase A

(2010) Larry R Masterson et al.   Nature Chemical Biology

Biochemical characterization of GSK1070916, a potent and selective inhibitor of Aurora B and Aurora C kinases with an extremely long residence time1

(2009) Kelly Anderson et al.   BIOCHEMICAL JOURNAL

Inhibition and Binding Kinetics of the Hepatitis C Virus NS3 Protease Inhibitor ITMN-191 Reveals Tight Binding and Slow Dissociative Behavior

(2009) Ravi Rajagopalan et al.   BIOCHEMISTRY

Potent Inhibitors of HIV-1 Integrase Display a Two-Step, Slow-Binding Inhibition Mechanism Which Is Absent in a Drug-Resistant T66I/M154I Mutant

(2009) Edward P. Garvey et al.   BIOCHEMISTRY

Efavirenz Binding to HIV-1 Reverse Transcriptase Monomers and Dimers

(2009) Valerie A. Braz et al.   BIOCHEMISTRY

Structural biology contributions to tyrosine kinase drug discovery

(2009) Sandra W Cowan-Jacob et al.   CURRENT OPINION IN CELL BIOLOGY

Early integration of pharmacokinetic and dynamic reasoning is essential for optimal development of lead compounds: strategic considerations

(2009) Johan Gabrielsson et al.   DRUG DISCOVERY TODAY

Slow Onset Inhibition of Bacterial β-Ketoacyl-acyl Carrier Protein Synthases by Thiolactomycin

(2009) Carl A. Machutta et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

The role of dynamic conformational ensembles in biomolecular recognition

(2009) David D Boehr et al.   Nature Chemical Biology

Conformational selection or induced fit: A flux description of reaction mechanism

(2009) G. G. Hammes et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Residence Time of Receptor−Ligand Complexes and Its Effect on Biological Function

(2008) Peter J. Tummino et al.   BIOCHEMISTRY

Pseudoirreversible Inhibition of Prostate-Specific Membrane Antigen by Phosphoramidate Peptidomimetics†

(2008) Tiancheng Liu et al.   BIOCHEMISTRY

Mechanism of Inhibition of Human KSP byIspinesib

(2008) Latesh Lad et al.   BIOCHEMISTRY

Characterization of an Akt Kinase Inhibitor with Potent Pharmacodynamic and Antitumor Activity

(2008) N. Rhodes et al.   CANCER RESEARCH

Enzymes with lid-gated active sites must operate by an induced fit mechanism instead of conformational selection

(2008) S. M. Sullivan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Selected-fit versus induced-fit protein binding: Kinetic differences and mutational analysis

(2008) Thomas R. Weikl et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS