Computational delineation of tyrosyl-substrate recognition and catalytic landscapes by the epidermal growth factor receptor tyrosine kinase domain

Molecular modeling of ErbB4/HER4 kinase in the context of the HER4 signaling network helps rationalize the effects of clinically identified HER4 somatic mutations on the cell phenotype

(2013) Shannon E. Telesco et al.   Biotechnology Journal

A multiscale modeling approach to investigate molecular mechanisms of pseudokinase activation and drug resistance in the HER3/ErbB3 receptor tyrosine kinase signaling network

(2011) Shannon E. Telesco et al.   Molecular BioSystems

ErbB3/HER3 intracellular domain is competent to bind ATP and catalyze autophosphorylation

(2010) Fumin Shi et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

cAMP-dependent protein kinase: Crystallographic insights into substrate recognition and phosphotransfer

(2010) Madhusudan et al.   PROTEIN SCIENCE

In Vitro Enzymatic Characterization of Near Full Length EGFR in Activated and Inhibited States

(2009) Chen Qiu et al.   BIOCHEMISTRY

Artificial reaction coordinate “tunneling” in free-energy calculations: The catalytic reaction of RNase H

(2009) Edina Rosta et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A Computational Study of the Phosphorylation Mechanism of the Insulin Receptor Tyrosine Kinase

(2009) Baojing Zhou et al.   JOURNAL OF PHYSICAL CHEMISTRY A

How Mitogen-Activated Protein Kinases Recognize and Phosphorylate Their Targets: A QM/MM Study

(2009) Adrian Gustavo Turjanski et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Role of Network Branching in Eliciting Differential Short-Term Signaling Responses in the Hypersensitive Epidermal Growth Factor Receptor Mutants Implicated in Lung Cancer

(2008) J. Purvis et al.   BIOTECHNOLOGY PROGRESS

Molecular systems biology of ErbB1 signaling: bridging the gap through multiscale modeling and high-performance computing

(2008) Andrew J. Shih et al.   Molecular BioSystems

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