Molecular Dynamics Simulations Show That Conformational Selection Governs the Binding Preferences of Imatinib for Several Tyrosine Kinases

Equally Potent Inhibition of c-Src and Abl by Compounds that Recognize Inactive Kinase Conformations

(2009) M. A. Seeliger et al.   CANCER RESEARCH

Binding Site Similarity Analysis for the Functional Classification of the Protein Kinase Family

(2009) Sarah L. Kinnings et al.   Journal of Chemical Information and Modeling

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Class effects of tyrosine kinase inhibitors in the treatment of chronic myeloid leukemia

(2009) F J Giles et al.   LEUKEMIA

The role of dynamic conformational ensembles in biomolecular recognition

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

Mapping the conformational transition in Src activation by cumulating the information from multiple molecular dynamics trajectories

(2009) S. Yang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

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

Conformational selection and induced fit mechanism underlie specificity in noncovalent interactions with ubiquitin

(2009) T. Wlodarski et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Protein kinase inhibitors: contributions from structure to clinical compounds

(2009) Louise N. Johnson   QUARTERLY REVIEWS OF BIOPHYSICS

Trapping Moving Targets with Small Molecules

(2009) G. M. Lee et al.   SCIENCE

Solution Conformations and Dynamics of ABL Kinase-Inhibitor Complexes Determined by NMR Substantiate the Different Binding Modes of Imatinib/Nilotinib and Dasatinib

(2008) Navratna Vajpai et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

A quantitative analysis of kinase inhibitor selectivity

(2008) Mazen W Karaman et al.   NATURE BIOTECHNOLOGY

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

A conserved protonation-dependent switch controls drug binding in the Abl kinase

(2008) Y. Shan et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Calculation of protein-ligand binding free energy by using a polarizable potential

(2008) D. Jiao et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Expression profiles of protein tyrosine kinase genes in human embryonic stem cells

(2008) Mi-Young Son et al.   REPRODUCTION

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

(2008) O. F. Lange et al.   SCIENCE

Conformational selectionin silico: Loop latching motions and ligand binding in enzymes

(2007) Sergio Wong et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS